 Entering Gaussian System, Link 0=g16
 Input=16_3carene_STD_B3LYPDBJ-augccpVDZr.in
 Output=16_3carene_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/16_3carene_STD/Gau-174879.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/16_3carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    174881.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=16_3carene_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 21:12:27 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "16_3carene_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.576059000000     -0.547983000000     -0.947443000000
  C                                                 0.890468000000      0.902427000000     -0.657284000000
  C                                                -0.802273000000     -1.098603000000     -0.653320000000
  C                                                -1.791447000000     -0.132514000000     -0.059048000000
  C                                                -3.143825000000     -0.710364000000      0.239514000000
  C                                                -1.497746000000      1.141771000000      0.186488000000
  C                                                -0.177796000000      1.802825000000     -0.074903000000
  C                                                 1.553152000000     -0.190698000000      0.146729000000
  H                                                 1.028285000000     -0.960644000000     -1.841695000000
  H                                                 1.539725000000      1.397239000000     -1.369979000000
  H                                                -3.606037000000     -1.117137000000     -0.665576000000
  H                                                -3.817128000000      0.036487000000      0.660286000000
  H                                                -3.065712000000     -1.539941000000      0.949730000000
  H                                                 0.180173000000      2.267717000000      0.852903000000
  H                                                -0.342920000000      2.638631000000     -0.763675000000
  C                                                 1.181093000000     -0.401023000000      1.596800000000
  C                                                 3.016369000000     -0.450660000000     -0.138002000000
  H                                                 0.128051000000     -0.210909000000      1.793600000000
  H                                                 1.766600000000      0.261136000000      2.240469000000
  H                                                 1.400175000000     -1.428043000000      1.901625000000
  H                                                 3.251657000000     -0.290389000000     -1.191686000000
  H                                                 3.287167000000     -1.480442000000      0.112381000000
  H                                                 3.654322000000      0.213667000000      0.452009000000
  H                                                -0.731082000000     -1.975159000000      0.004567000000
  H                                                -1.231206000000     -1.482577000000     -1.585866000000
  H                                                -2.266393000000      1.779290000000      0.613726000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 21:12:27 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.512195   0.000000
     3  C    1.513106   2.620975   0.000000
     4  C    2.562605   2.936266   1.504976   0.000000
     5  C    3.908039   4.436312   2.535892   1.500659   0.000000
     6  C    2.905466   2.544170   2.491633   1.330545   2.478466
     7  C    2.618381   1.513629   3.023710   2.519853   3.900296
     8  C    1.509826   1.510136   2.648093   3.351428   4.726548
     9  H    1.083736   2.211980   2.186827   3.437225   4.669108
    10  H    2.211578   1.083655   3.496825   3.892993   5.382202
    11  H    4.230049   4.929226   2.803852   2.151766   1.094665
    12  H    4.714498   4.964605   3.478986   2.156244   1.090033
    13  H    4.224422   4.919249   2.808506   2.149938   1.094855
    14  H    3.365433   2.156200   3.816545   3.237290   4.504906
    15  H    3.321566   2.132362   3.766975   3.205304   4.479646
    16  C    2.619320   2.619988   3.079513   3.413198   4.543438
    17  C    2.572893   2.572927   3.907353   4.818978   6.177213
    18  H    2.797793   2.797790   2.764222   2.668880   3.656475
    19  H    3.497834   3.094484   4.101465   4.254696   5.390724
    20  H    3.093681   3.498415   3.389255   3.963469   4.891381
    21  H    2.699043   2.698816   4.168620   5.171140   6.567108
    22  H    3.056602   3.466210   4.177992   5.257244   6.478182
    23  H    3.466162   3.056765   4.775463   5.480641   6.863949
    24  H    2.156797   3.368675   1.098287   2.126914   2.734271
    25  H    2.132430   3.324456   1.095930   2.113697   2.754349
    26  H    3.991614   3.514275   3.468619   2.081632   2.666139
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.499195   0.000000
     8  C    3.329419   2.649422   0.000000
     9  H    3.861931   3.494703   2.195935   0.000000
    10  H    3.422584   2.188972   2.195934   2.458394   0.000000
    11  H    3.205241   4.541796   5.304277   4.783794   5.770367
    12  H    2.612598   4.111592   5.399561   5.543664   5.888081
    13  H    3.198849   4.534756   4.878439   4.988833   5.934486
    14  H    2.127740   1.097766   2.903026   4.289810   2.747238
    15  H    2.115898   1.095557   3.525483   3.999639   2.335168
    16  C    3.397848   3.081901   1.511744   3.487087   3.487713
    17  C    4.797746   3.909586   1.513161   2.667420   2.667016
    18  H    2.656270   2.764050   2.177959   3.819410   3.819319
    19  H    3.956047   3.393881   2.152548   4.324571   3.791772
    20  H    4.235987   4.103068   2.152692   3.790674   4.324938
    21  H    5.148522   4.170120   2.164766   2.411459   2.410516
    22  H    5.456820   4.777121   2.161349   3.031691   3.678586
    23  H    5.241725   4.181888   2.161394   3.679151   3.031832
    24  H    3.214984   3.819110   2.902109   2.744685   4.291737
    25  H    3.177969   3.766503   3.524697   2.333059   4.002250
    26  H    1.086177   2.199318   4.322946   4.938748   4.309012
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.770118   0.000000
    13  H    1.754972   1.770178   0.000000
    14  H    5.300793   4.581911   5.004339   0.000000
    15  H    4.976279   4.568253   5.273501   1.739117   0.000000
    16  C    5.343012   5.103987   4.444231   2.945742   4.139318
    17  C    6.676735   6.897192   6.273867   4.051601   4.606518
    18  H    4.562040   4.112182   3.560697   2.651644   3.857635
    19  H    6.261786   5.807363   5.316119   2.910061   4.373493
    20  H    5.634655   5.559318   4.567578   4.030740   5.165273
    21  H    6.927357   7.314668   6.786471   4.489796   4.656537
    22  H    6.946472   7.285072   6.408102   4.924478   5.559835
    23  H    7.465444   7.476452   6.962882   4.055804   4.830764
    24  H    3.074193   3.741706   2.556021   4.421771   4.693391
    25  H    2.572995   3.746965   3.130168   4.690873   4.295277
    26  H    3.438103   2.333304   3.430613   2.506282   2.517032
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.525914   0.000000
    18  H    1.088012   3.482951   0.000000
    19  H    1.093427   2.779514   1.762771   0.000000
    20  H    1.093474   2.779827   1.763912   1.761365   0.000000
    21  H    3.474929   1.091466   4.321477   3.780114   3.780319
    22  H    2.793599   1.093835   3.797134   3.142288   2.600938
    23  H    2.793788   1.093813   3.796672   2.600834   3.142893
    24  H    2.944405   4.048186   2.655433   4.029726   2.905240
    25  H    4.137428   4.604678   3.858174   5.164128   4.369180
    26  H    4.195874   5.783195   3.329618   4.606096   5.038789
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765808   0.000000
    23  H    1.765770   1.766396   0.000000
    24  H    4.486834   4.050024   4.921680   0.000000
    25  H    4.655400   4.826981   5.558648   1.738459   0.000000
    26  H    6.163762   6.459042   6.126352   4.101724   4.068119
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4724293           0.9589096           0.8790852
 Leave Link  202 at Fri Jul  9 21:12:27 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       551.5317654388 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0458224712 Hartrees.
 Nuclear repulsion after empirical dispersion term =      551.4859429675 Hartrees.
 Leave Link  301 at Fri Jul  9 21:12:29 2021, MaxMem= 17179869184 cpu:              16.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  3.57D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul  9 21:12:29 2021, MaxMem= 17179869184 cpu:               5.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 21:12:29 2021, MaxMem= 17179869184 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "16_3carene_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 21:12:30 2021, MaxMem= 17179869184 cpu:               4.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179550098 LenY= 17179394421
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.746590824195    
 DIIS: error= 2.09D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.746590824195     IErMin= 1 ErrMin= 2.09D-03
 ErrMax= 2.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.41D-03 BMatP= 4.41D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.09D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.256 Goal=   None    Shift=    0.000
 GapD=    0.256 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.41D-02 MaxDP=3.03D+00              OVMax= 9.07D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.69D-02    CP:  1.62D+00
 E= -390.750107514571     Delta-E=       -0.003516690375 Rises=F Damp=F
 DIIS: error= 1.60D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.750107514571     IErMin= 2 ErrMin= 1.60D-04
 ErrMax= 1.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-05 BMatP= 4.41D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.60D-03
 Coeff-Com:  0.730D-02 0.993D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.729D-02 0.993D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.02D-03 MaxDP=1.04D-01 DE=-3.52D-03 OVMax= 2.26D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.98D-04    CP:  1.64D+00  1.03D+00
 E= -390.750100934164     Delta-E=        0.000006580407 Rises=F Damp=F
 DIIS: error= 2.10D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -390.750107514571     IErMin= 2 ErrMin= 1.60D-04
 ErrMax= 2.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.96D-05 BMatP= 3.39D-05
 IDIUse=3 WtCom= 4.08D-01 WtEn= 5.92D-01
 Coeff-Com: -0.625D-02 0.521D+00 0.485D+00
 Coeff-En:   0.000D+00 0.543D+00 0.457D+00
 Coeff:     -0.255D-02 0.534D+00 0.469D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.31D-04 MaxDP=6.15D-03 DE= 6.58D-06 OVMax= 1.18D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.81D-05    CP:  1.64D+00  1.03D+00  9.16D-01
 E= -390.750143429742     Delta-E=       -0.000042495578 Rises=F Damp=F
 DIIS: error= 3.22D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.750143429742     IErMin= 4 ErrMin= 3.22D-05
 ErrMax= 3.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-07 BMatP= 3.39D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.247D-02 0.116D+00 0.162D+00 0.724D+00
 Coeff:     -0.247D-02 0.116D+00 0.162D+00 0.724D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.00D-05 MaxDP=2.56D-03 DE=-4.25D-05 OVMax= 1.88D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.30D-05    CP:  1.64D+00  1.03D+00  9.31D-01  9.41D-01
 E= -390.750143948852     Delta-E=       -0.000000519110 Rises=F Damp=F
 DIIS: error= 1.06D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.750143948852     IErMin= 5 ErrMin= 1.06D-05
 ErrMax= 1.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-07 BMatP= 6.29D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.872D-03 0.180D-01 0.503D-01 0.395D+00 0.537D+00
 Coeff:     -0.872D-03 0.180D-01 0.503D-01 0.395D+00 0.537D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=7.10D-06 MaxDP=3.09D-04 DE=-5.19D-07 OVMax= 8.35D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.54D-06    CP:  1.64D+00  1.03D+00  9.33D-01  9.58D-01  9.17D-01
 E= -390.750144106267     Delta-E=       -0.000000157415 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.750144106267     IErMin= 6 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.62D-09 BMatP= 1.66D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.248D-03 0.184D-02 0.135D-01 0.132D+00 0.218D+00 0.635D+00
 Coeff:     -0.248D-03 0.184D-02 0.135D-01 0.132D+00 0.218D+00 0.635D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.40D-06 MaxDP=1.14D-04 DE=-1.57D-07 OVMax= 4.73D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.24D-06    CP:  1.64D+00  1.03D+00  9.34D-01  9.58D-01  9.15D-01
                    CP:  9.60D-01
 E= -390.750144109216     Delta-E=       -0.000000002949 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.750144109216     IErMin= 7 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-09 BMatP= 4.62D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.709D-04-0.428D-03 0.364D-02 0.451D-01 0.801D-01 0.398D+00
 Coeff-Com:  0.474D+00
 Coeff:     -0.709D-04-0.428D-03 0.364D-02 0.451D-01 0.801D-01 0.398D+00
 Coeff:      0.474D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=5.13D-07 MaxDP=4.57D-05 DE=-2.95D-09 OVMax= 2.54D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.03D-07    CP:  1.64D+00  1.03D+00  9.34D-01  9.59D-01  9.12D-01
                    CP:  9.63D-01  7.91D-01
 E= -390.750144110980     Delta-E=       -0.000000001764 Rises=F Damp=F
 DIIS: error= 2.33D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.750144110980     IErMin= 8 ErrMin= 2.33D-07
 ErrMax= 2.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.36D-11 BMatP= 1.76D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.150D-05-0.334D-03-0.118D-03 0.300D-02 0.506D-02 0.881D-01
 Coeff-Com:  0.215D+00 0.689D+00
 Coeff:     -0.150D-05-0.334D-03-0.118D-03 0.300D-02 0.506D-02 0.881D-01
 Coeff:      0.215D+00 0.689D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.37D-07 MaxDP=8.28D-06 DE=-1.76D-09 OVMax= 3.40D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.18D-07    CP:  1.64D+00  1.03D+00  9.34D-01  9.59D-01  9.13D-01
                    CP:  9.65D-01  8.09D-01  8.86D-01
 E= -390.750144111087     Delta-E=       -0.000000000107 Rises=F Damp=F
 DIIS: error= 7.85D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.750144111087     IErMin= 9 ErrMin= 7.85D-08
 ErrMax= 7.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.17D-12 BMatP= 7.36D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.232D-05-0.149D-03-0.220D-03-0.509D-03-0.106D-02 0.254D-01
 Coeff-Com:  0.872D-01 0.333D+00 0.557D+00
 Coeff:      0.232D-05-0.149D-03-0.220D-03-0.509D-03-0.106D-02 0.254D-01
 Coeff:      0.872D-01 0.333D+00 0.557D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=4.12D-08 MaxDP=2.53D-06 DE=-1.07D-10 OVMax= 5.23D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.48D-08    CP:  1.64D+00  1.03D+00  9.34D-01  9.59D-01  9.13D-01
                    CP:  9.65D-01  8.12D-01  8.83D-01  8.72D-01
 E= -390.750144111094     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 1.89D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.750144111094     IErMin=10 ErrMin= 1.89D-08
 ErrMax= 1.89D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-13 BMatP= 4.17D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-05-0.406D-04-0.892D-04-0.491D-03-0.867D-03 0.415D-02
 Coeff-Com:  0.227D-01 0.894D-01 0.246D+00 0.639D+00
 Coeff:      0.111D-05-0.406D-04-0.892D-04-0.491D-03-0.867D-03 0.415D-02
 Coeff:      0.227D-01 0.894D-01 0.246D+00 0.639D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.05D-08 MaxDP=6.69D-07 DE=-7.05D-12 OVMax= 1.37D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.77D-09    CP:  1.64D+00  1.03D+00  9.34D-01  9.59D-01  9.13D-01
                    CP:  9.65D-01  8.15D-01  8.89D-01  9.01D-01  9.05D-01
 E= -390.750144111027     Delta-E=        0.000000000067 Rises=F Damp=F
 DIIS: error= 2.50D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.750144111094     IErMin=11 ErrMin= 2.50D-09
 ErrMax= 2.50D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.05D-15 BMatP= 2.44D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.147D-06-0.161D-05-0.107D-04-0.113D-03-0.175D-03-0.485D-03
 Coeff-Com:  0.130D-02 0.257D-02 0.334D-01 0.180D+00 0.784D+00
 Coeff:      0.147D-06-0.161D-05-0.107D-04-0.113D-03-0.175D-03-0.485D-03
 Coeff:      0.130D-02 0.257D-02 0.334D-01 0.180D+00 0.784D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.58D-09 MaxDP=1.65D-07 DE= 6.67D-11 OVMax= 2.73D-08

 SCF Done:  E(RB3LYP) =  -390.750144111     A.U. after   11 cycles
            NFock= 11  Conv=0.26D-08     -V/T= 2.0063
 KE= 3.883062571952D+02 PE=-2.007069274494D+03 EE= 6.765269302198D+02
 Leave Link  502 at Fri Jul  9 21:14:20 2021, MaxMem= 17179869184 cpu:            1309.9 elap:             109.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.10326185D+03

 Leave Link  801 at Fri Jul  9 21:14:20 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 3.86D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 3.09D-01 1.20D-01.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 6.85D-02 4.95D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 2.70D-03 1.02D-02.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 1.25D-04 1.60D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 4.67D-06 4.45D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 9.18D-08 5.54D-05.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 1.17D-09 5.44D-06.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 2.10D-11 4.91D-07.
      8 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 2.62D-13 6.09D-08.
      2 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 1.01D-14 9.72D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.135501D+03
      2  0.453315D+01  0.123619D+03
      3  0.456027D+00  0.252619D+01  0.103485D+03
 Isotropic polarizability for W=    0.085645      120.87 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.204817D+02 -0.526150D+02  0.819495D+01
      2   0.857352D+00  0.508227D+02 -0.132858D+02
      3   0.196244D+02  0.179231D+01  0.509089D+01
      4  -0.472079D+02 -0.501816D+02 -0.225074D+02
      5   0.233747D+02 -0.203940D+02  0.353255D+02
      6  -0.106155D+02  0.514177D+01 -0.212726D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.114857D+01  0.216719D-01  0.341386D+01
      2   0.990314D+01 -0.834639D+01  0.110600D+02
      3   0.197418D+02  0.294061D+02  0.678086D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.211349D+01  0.184276D+02  0.230649D+02
      2  -0.151798D+02 -0.118919D+02  0.157011D+02
      3   0.540709D+01  0.510389D+02  0.977844D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.254393D+00 -0.207522D+01 -0.222991D+01
      2  -0.207522D+01  0.991733D+00 -0.177403D+01
      3  -0.222991D+01 -0.177403D+01 -0.115430D+01
 OR G Eigenvalues:    -4.3429     1.3858     2.5401  Iso=     0.1390
 Eigenvectors:
   (1)   0.592935   0.452228   0.666272
   (2)  -0.569700  -0.349171   0.743990
   (3)  -0.569096   0.820713  -0.050599
 w=    0.085645 a.u., Optical Rotation Beta=      0.1390 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =       48.38 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 3.11D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.66D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 4.05D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.22D-02 2.25D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 8.91D-04 4.33D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 1.85D-05 4.29D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 2.35D-07 4.35D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 9.34D-10 2.86D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 2.29D-12 1.24D-07.
      8 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 8.76D-15 7.63D-09.
      3 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 1.48D-15 4.50D-09.
      1 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 1.01D-15 3.03D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 1.00D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 1.00D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.60D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135501D+03  0.453315D+01  0.456027D+00
      2   0.453315D+01  0.123619D+03  0.252619D+01
      3   0.456027D+00  0.252619D+01  0.103485D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.114857D+01  0.216719D-01  0.341386D+01
      2   0.990314D+01 -0.834639D+01  0.110600D+02
      3   0.197418D+02  0.294061D+02  0.678086D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.204817D+02 -0.526150D+02  0.819495D+01
      2   0.857352D+00  0.508227D+02 -0.132858D+02
      3   0.196244D+02  0.179231D+01  0.509089D+01
      4  -0.472079D+02 -0.501816D+02 -0.225074D+02
      5   0.233747D+02 -0.203940D+02  0.353255D+02
      6  -0.106155D+02  0.514177D+01 -0.212726D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303152D+01 -0.712036D+00 -0.207032D+01  0.144762D+00 -0.222974D+01
      2  -0.712036D+00 -0.534261D+00 -0.141466D+01 -0.222974D+01 -0.483174D+01
      3  -0.207032D+01 -0.141466D+01 -0.477929D+01 -0.153622D+00 -0.876880D-03
                 6             7             8             9            10 
      1  -0.153622D+00 -0.437091D+01 -0.289489D+01 -0.457309D+01 -0.247897D+01
      2  -0.876880D-03 -0.289489D+01  0.199009D+01  0.115526D+01  0.136836D+01
      3   0.157953D+01 -0.457309D+01  0.115526D+01  0.170770D+00 -0.434771D-01
                11            12            13            14            15 
      1   0.136836D+01 -0.434771D-01  0.652562D+00 -0.229377D+01  0.140285D+01
      2  -0.147878D+01  0.332107D+01 -0.229377D+01  0.601346D+01  0.655225D+00
      3   0.332107D+01 -0.306848D+01  0.140285D+01  0.655225D+00  0.754517D+00
                16            17            18            19            20 
      1  -0.471938D+00  0.534519D+01 -0.235237D+01 -0.681021D-01 -0.105483D+01
      2   0.534519D+01  0.497386D+00  0.110050D+01 -0.105483D+01 -0.108490D+01
      3  -0.235237D+01  0.110050D+01 -0.223614D-01  0.598904D+00  0.132787D+01
                21            22            23            24            25 
      1   0.598904D+00 -0.144785D+01  0.518067D+00  0.117215D+01  0.100152D+01
      2   0.132787D+01  0.518067D+00  0.106001D+02 -0.338635D+00  0.986157D+00
      3   0.162308D+01  0.117215D+01 -0.338635D+00  0.261492D+01  0.330662D+01
                26            27            28            29            30 
      1   0.986157D+00  0.330662D+01 -0.533322D+01 -0.281887D+01 -0.410544D+00
      2  -0.100951D+01  0.532690D+01 -0.281887D+01 -0.372374D+01 -0.906065D+00
      3   0.532690D+01  0.390569D+01 -0.410544D+00 -0.906065D+00 -0.126725D+01
                31            32            33            34            35 
      1  -0.438820D+01 -0.662012D+01 -0.235067D+01 -0.118213D+01 -0.172649D+01
      2  -0.662012D+01 -0.191929D+02 -0.783304D+00 -0.172649D+01 -0.193964D+01
      3  -0.235067D+01 -0.783304D+00 -0.425469D+01 -0.272257D+01 -0.303542D+01
                36            37            38            39            40 
      1  -0.272257D+01  0.346348D+01  0.967637D+00  0.952142D+00 -0.210934D+00
      2  -0.303542D+01  0.967637D+00  0.440078D+01  0.280390D+01  0.669733D+01
      3  -0.165597D+01  0.952142D+00  0.280390D+01  0.203756D+01  0.226396D+01
                41            42            43            44            45 
      1   0.669733D+01  0.226396D+01  0.150076D+01  0.258407D+01  0.452951D+01
      2   0.561004D+01 -0.318209D+01  0.258407D+01 -0.342241D+01  0.458953D+01
      3  -0.318209D+01  0.273199D+01  0.452951D+01  0.458953D+01  0.133690D+01
                46            47            48            49            50 
      1   0.559055D+01  0.205750D+01 -0.519263D+00  0.430798D+01  0.747728D+01
      2   0.205750D+01  0.716652D+01  0.277231D+01  0.747728D+01  0.157454D+02
      3  -0.519263D+00  0.277231D+01  0.159868D+01  0.278258D+01 -0.696057D+00
                51            52            53            54            55 
      1   0.278258D+01  0.250638D+00  0.339974D+01  0.186169D+01 -0.150624D+01
      2  -0.696057D+00  0.339974D+01 -0.936592D+00  0.344355D+01 -0.179546D+01
      3   0.328092D+01  0.186169D+01  0.344355D+01  0.199425D+01 -0.586416D+00
                56            57            58            59            60 
      1  -0.179546D+01 -0.586416D+00 -0.169347D+01 -0.404715D+01 -0.171397D+01
      2  -0.373034D+01 -0.240341D+01 -0.404715D+01 -0.962046D+01  0.108551D+01
      3  -0.240341D+01 -0.777268D+00 -0.171397D+01  0.108551D+01 -0.286102D+01
                61            62            63            64            65 
      1  -0.591834D+00 -0.230660D+01 -0.127704D+01  0.338153D+01  0.115495D+00
      2  -0.230660D+01  0.119135D+01 -0.619696D+01  0.115495D+00  0.167097D+01
      3  -0.127704D+01 -0.619696D+01 -0.185781D+01  0.436694D+01 -0.759906D+00
                66            67            68            69            70 
      1   0.436694D+01  0.152579D+00  0.583927D+01 -0.102809D+00  0.760842D+01
      2  -0.759906D+00  0.583927D+01 -0.464211D+01  0.268083D+01 -0.825248D+00
      3   0.478591D+01 -0.102809D+00  0.268083D+01  0.139881D+00  0.532907D+01
                71            72            73            74            75 
      1  -0.825248D+00  0.532907D+01  0.184224D+01 -0.137870D+01 -0.151391D+01
      2   0.254188D+01  0.179013D+00 -0.137870D+01  0.933447D+00  0.101043D+01
      3   0.179013D+00 -0.277457D+00 -0.151391D+01  0.101043D+01  0.275352D+01
                76            77            78            79            80 
      1  -0.127964D+01  0.520367D+00  0.592176D+00 -0.194289D+01  0.106393D+01
      2   0.520367D+00 -0.165839D+01 -0.209444D+01  0.106393D+01 -0.222423D+01
      3   0.592176D+00 -0.209444D+01 -0.290394D+01  0.218457D+01 -0.297140D+01
                81            82            83            84            85 
      1   0.218457D+01  0.370052D+01  0.187306D+01 -0.190992D+01  0.162540D+01
      2  -0.297140D+01  0.187306D+01  0.195643D+01 -0.189646D+01  0.132899D+01
      3  -0.638056D+01 -0.190992D+01 -0.189646D+01  0.257372D+01 -0.139243D+01
                86            87            88            89            90 
      1   0.132899D+01 -0.139243D+01 -0.258436D+01 -0.188998D+01  0.225377D+01
      2   0.332258D+01 -0.208901D+01 -0.188998D+01 -0.222414D+01  0.219549D+01
      3  -0.208901D+01  0.179814D+01  0.225377D+01  0.219549D+01 -0.330319D+01
                91            92            93            94            95 
      1  -0.473147D+01 -0.202532D+01 -0.223061D+01 -0.275779D+01 -0.308763D+01
      2  -0.202532D+01 -0.143322D+01 -0.122974D+01 -0.308763D+01 -0.314303D+01
      3  -0.223061D+01 -0.122974D+01 -0.181306D+01 -0.121015D+01 -0.114499D+01
                96            97            98            99           100 
      1  -0.121015D+01 -0.551326D+01 -0.301406D+01 -0.354263D+01 -0.598301D+01
      2  -0.114499D+01 -0.301406D+01 -0.230823D+01 -0.291738D+01  0.188708D+01
      3  -0.176931D+01 -0.354263D+01 -0.291738D+01 -0.447922D+01  0.157214D+01
               101           102           103           104           105 
      1   0.188708D+01  0.157214D+01  0.510255D+01 -0.208068D+01 -0.151453D+01
      2  -0.131536D+01 -0.689523D+00 -0.208068D+01  0.192174D+01  0.967463D+00
      3  -0.689523D+00 -0.128826D+01 -0.151453D+01  0.967463D+00  0.105154D+01
               106           107           108           109           110 
      1   0.254018D+01 -0.846504D+00 -0.201564D+01 -0.527186D+00 -0.800968D+00
      2  -0.846504D+00  0.929032D+00  0.425771D+00 -0.800968D+00  0.164166D+00
      3  -0.201564D+01  0.425771D+00  0.137857D+01  0.429441D+00 -0.338396D+00
               111           112           113           114           115 
      1   0.429441D+00 -0.324363D+01 -0.331428D+01  0.948014D+00  0.191923D+01
      2  -0.338396D+00 -0.331428D+01 -0.709562D+01  0.334542D+01  0.122983D+01
      3  -0.203046D+00  0.948014D+00  0.334542D+01 -0.258840D+01 -0.196699D+01
               116           117           118           119           120 
      1   0.122983D+01 -0.196699D+01  0.181401D+01  0.143685D+01  0.131189D+01
      2   0.394368D+01 -0.348252D+01  0.143685D+01  0.194978D+01  0.141256D+01
      3  -0.348252D+01  0.295793D+01  0.131189D+01  0.141256D+01  0.116246D+01
               121           122           123           124           125 
      1   0.146479D+01  0.193065D+01  0.729355D+00  0.272059D+01  0.164574D+01
      2   0.193065D+01  0.624096D+01  0.233809D+01  0.164574D+01  0.505416D+01
      3   0.729355D+00  0.233809D+01  0.195961D+01  0.142885D+01  0.452688D+01
               126           127           128           129           130 
      1   0.142885D+01 -0.308392D+00  0.115701D+01 -0.669532D+00  0.187305D+01
      2   0.452688D+01  0.115701D+01 -0.978170D+00  0.646801D+00  0.842226D+00
      3   0.443102D+01 -0.669532D+00  0.646801D+00 -0.984091D-01  0.107357D+00
               131           132           133           134           135 
      1   0.842226D+00  0.107357D+00 -0.148729D+01  0.255309D+00  0.315501D+00
      2   0.108710D+02 -0.351295D+01  0.255309D+00 -0.544101D+01  0.396599D+01
      3  -0.351295D+01  0.206778D+01  0.315501D+00  0.396599D+01 -0.231251D+01
               136           137           138           139           140 
      1   0.571887D+01 -0.201692D+01 -0.258560D+01 -0.247231D+01 -0.314472D+01
      2  -0.201692D+01 -0.190051D+01 -0.814951D+00 -0.314472D+01  0.501171D+01
      3  -0.258560D+01 -0.814951D+00 -0.316525D+01 -0.841002D+00 -0.511741D+01
               141           142           143           144           145 
      1  -0.841002D+00 -0.315260D+01 -0.435354D+00 -0.368933D+01 -0.735230D+00
      2  -0.511741D+01 -0.435354D+00 -0.352922D+01 -0.131044D+01 -0.170127D+01
      3  -0.184538D+01 -0.368933D+01 -0.131044D+01 -0.265761D-01 -0.314031D+01
               146           147           148           149           150 
      1  -0.170127D+01 -0.314031D+01 -0.214125D+01 -0.620288D+01 -0.696461D+00
      2  -0.337627D+01 -0.456225D+00 -0.620288D+01  0.562887D+01 -0.245770D+01
      3  -0.456225D+00 -0.242641D+01 -0.696461D+00 -0.245770D+01 -0.182636D+01
               151           152           153           154           155 
      1  -0.370621D+01 -0.705423D+00 -0.401896D+01 -0.761788D+01  0.111959D+01
      2  -0.705423D+00 -0.294468D+01 -0.168123D+01  0.111959D+01 -0.679657D+00
      3  -0.401896D+01 -0.168123D+01  0.523267D+01  0.797084D+00  0.420494D+00
               156           157           158           159           160 
      1   0.797084D+00  0.150891D+01 -0.311689D+00  0.236894D+00  0.941063D+00
      2   0.420494D+00 -0.311689D+00 -0.281260D+00  0.656639D+00  0.157678D+00
      3  -0.236958D+01  0.236894D+00  0.656639D+00  0.707009D+00 -0.109696D+01
               161           162           163           164           165 
      1   0.157678D+00 -0.109696D+01  0.254627D+01  0.128822D+01  0.269292D+01
      2   0.611970D+00  0.333779D+00  0.128822D+01  0.124424D+01  0.105772D+01
      3   0.333779D+00  0.983748D+00  0.269292D+01  0.105772D+01  0.363838D+01
               166           167           168           169           170 
      1   0.204786D+01  0.156104D+01  0.174844D+01  0.184221D+01  0.822773D+00
      2   0.156104D+01  0.143972D+01  0.243345D+01  0.822773D+00  0.143164D+01
      3   0.174844D+01  0.243345D+01  0.378431D+01  0.259508D+01  0.178990D+01
               171           172           173           174           175 
      1   0.259508D+01  0.669905D+00 -0.111283D+01  0.113695D+01 -0.139120D+01
      2   0.178990D+01 -0.111283D+01  0.136462D+01 -0.556470D+00  0.199908D+01
      3   0.527674D+01  0.113695D+01 -0.556470D+00  0.123978D+01 -0.919526D+00
               176           177           178           179           180 
      1   0.199908D+01 -0.919526D+00  0.519968D+00 -0.316283D+00  0.902135D+00
      2  -0.689156D+01  0.401500D+01 -0.316283D+00  0.183925D+01 -0.169162D+01
      3   0.401500D+01 -0.340276D+01  0.902135D+00 -0.169162D+01  0.217389D+01
               181           182           183           184           185 
      1   0.139915D+01  0.343053D+00 -0.133492D+01  0.840428D+00  0.985432D+00
      2   0.343053D+00  0.484515D+00  0.653159D-02  0.985432D+00 -0.226361D+00
      3  -0.133492D+01  0.653159D-02  0.150611D+01 -0.227132D+00 -0.554684D+00
               186           187           188           189           190 
      1  -0.227132D+00 -0.328687D+01  0.113519D+00  0.322006D+01  0.251951D+01
      2  -0.554684D+00  0.113519D+00 -0.798246D+00  0.524193D+00 -0.171102D+01
      3   0.903204D+00  0.322006D+01  0.524193D+00 -0.696170D+01  0.617215D+00
               191           192           193           194           195 
      1  -0.171102D+01  0.617215D+00 -0.458142D+01  0.479423D+01 -0.431649D+00
      2   0.173996D+01 -0.259757D+00  0.479423D+01 -0.779731D+01  0.131463D+01
      3  -0.259757D+00  0.382392D+00 -0.431649D+00  0.131463D+01 -0.112934D+01
               196           197           198           199           200 
      1   0.167860D+01 -0.773297D+00  0.127350D+01  0.650931D+01  0.196267D+01
      2  -0.773297D+00  0.151661D+01 -0.992448D+00  0.196267D+01  0.155020D+01
      3   0.127350D+01 -0.992448D+00  0.385850D+00  0.215754D+01  0.829953D+00
               201           202           203           204           205 
      1   0.215754D+01  0.499004D+01  0.293331D+01  0.143846D+01  0.466690D+01
      2   0.829953D+00  0.293331D+01  0.177096D+01  0.141171D+01  0.114488D+01
      3   0.150868D+01  0.143846D+01  0.141171D+01  0.162430D+01  0.265089D+01
               206           207           208           209           210 
      1   0.114488D+01  0.265089D+01  0.989581D-01 -0.988640D+00  0.404736D+00
      2   0.150567D+01  0.114605D+01 -0.988640D+00 -0.360656D-01 -0.417322D+00
      3   0.114605D+01  0.185928D+01  0.404736D+00 -0.417322D+00 -0.217860D+00
               211           212           213           214           215 
      1  -0.168621D+01 -0.560533D+00  0.128248D+00  0.157370D+01  0.223118D+00
      2  -0.560533D+00 -0.971879D+01  0.165485D+01  0.223118D+00  0.446576D+01
      3   0.128248D+00  0.165485D+01 -0.128673D+01 -0.622807D+00 -0.264740D+01
               216           217           218           219           220 
      1  -0.622807D+00 -0.186840D+01 -0.103484D+01 -0.186697D+01 -0.643501D+00
      2  -0.264740D+01 -0.103484D+01 -0.179437D+01 -0.185536D+01 -0.104115D+01
      3   0.842375D+00 -0.186697D+01 -0.185536D+01 -0.209700D+01 -0.837840D+00
               221           222           223           224           225 
      1  -0.104115D+01 -0.837840D+00 -0.272086D+01 -0.142838D+01 -0.230963D+01
      2  -0.400374D+01 -0.237751D+01 -0.142838D+01 -0.308800D+01 -0.454512D+01
      3  -0.237751D+01 -0.232254D+01 -0.230963D+01 -0.454512D+01 -0.671434D+01
               226           227           228           229           230 
      1  -0.506469D+01  0.357517D+01  0.184387D+01  0.322651D+01 -0.249293D+01
      2   0.357517D+01 -0.255998D+01 -0.161139D+01 -0.249293D+01  0.492674D+01
      3   0.184387D+01 -0.161139D+01 -0.123912D+01 -0.115867D+01  0.179085D+01
               231           232           233           234 
      1  -0.115867D+01  0.224738D+01 -0.180942D+01 -0.166324D+01
      2   0.179085D+01 -0.180942D+01  0.234742D+01  0.769146D+00
      3   0.119284D+01 -0.166324D+01  0.769146D+00  0.106203D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.121228D+01  0.628576D+00 -0.166601D+01  0.118537D+01  0.116060D+02
      2  -0.344214D+01 -0.446147D+00 -0.443074D+01 -0.119645D+01 -0.455147D+01
      3   0.140438D+01 -0.286797D+01  0.260319D+01  0.744347D+01  0.903841D+01
                 6             7             8             9            10 
      1  -0.906831D+00  0.133598D+01  0.158140D+01  0.101375D+00 -0.111863D+01
      2  -0.365044D-01 -0.144969D+02 -0.360722D+01 -0.645177D+01 -0.159860D+01
      3   0.353430D+01  0.822658D+01 -0.168976D+00  0.438338D+01 -0.220362D+01
                11            12            13            14            15 
      1  -0.446471D+01 -0.155479D+00 -0.219096D+01 -0.106923D+02 -0.482406D+01
      2   0.479128D+01 -0.168336D+01  0.326415D+01  0.381080D+00  0.215573D+01
      3  -0.427387D+01 -0.427883D+01  0.974470D+01 -0.137978D+02  0.255653D+01
                16            17            18            19            20 
      1  -0.468001D+01  0.100081D+01 -0.232245D+01  0.131898D+01  0.436233D+01
      2  -0.655447D+01  0.734969D+01 -0.685471D+00 -0.281163D+01 -0.979327D+00
      3  -0.866370D+01  0.464159D+01 -0.556801D+01 -0.144303D+01 -0.433084D+01
                21            22            23            24            25 
      1   0.219567D+01  0.213986D+01 -0.111754D+02  0.511421D+01  0.463127D+01
      2   0.143077D+00 -0.195149D+01 -0.627898D+00 -0.404935D+01 -0.626027D+01
      3   0.471955D+00  0.482191D+01  0.156084D+02 -0.108520D+01  0.213870D+01
                26            27            28            29            30 
      1   0.192565D+02  0.445442D+01  0.889820D-01 -0.666666D+00 -0.145026D-01
      2  -0.562286D+01 -0.196369D+01 -0.114564D+01  0.611561D+01  0.338477D+01
      3  -0.393773D+01  0.319486D+01 -0.120166D+02 -0.211246D+02 -0.505243D+01
                31            32            33            34            35 
      1  -0.113185D+00 -0.371402D+01 -0.230524D+00  0.148512D+01  0.114044D+02
      2   0.830711D+01  0.356206D+01  0.114273D+02 -0.308785D+01  0.727031D+01
      3  -0.164922D+02 -0.464270D+02 -0.283975D+01 -0.829478D+01 -0.492884D+01
                36            37            38            39            40 
      1   0.211453D+01  0.218808D+01  0.513517D+01  0.462400D+01  0.377754D+01
      2   0.549023D+01 -0.535032D+01 -0.122387D+02 -0.562293D+01 -0.840080D+01
      3  -0.775668D+01 -0.245552D+01  0.132157D+02  0.951510D+01  0.283902D+02
                41            42            43            44            45 
      1  -0.339980D+01  0.231687D+01  0.997576D+01  0.102388D+02  0.264279D+01
      2   0.109108D+02 -0.107799D+02 -0.222834D+02 -0.213764D+02 -0.616624D+01
      3   0.165700D+02 -0.144581D+02  0.662189D+01 -0.171892D+02  0.129350D+02
                46            47            48            49            50 
      1  -0.601576D+00 -0.243626D+01 -0.140079D+01 -0.126623D+01  0.547616D+01
      2  -0.231127D+01 -0.454260D+01 -0.299779D+01 -0.336866D+01 -0.106288D+01
      3   0.489108D+01  0.918339D+01  0.468459D+01  0.208146D+02  0.495819D+02
                51            52            53            54            55 
      1  -0.361204D+01 -0.762111D-01  0.909921D+00 -0.956000D+00  0.186932D+01
      2  -0.891049D+01 -0.142891D+02 -0.109282D+02 -0.456938D+01 -0.261879D+01
      3   0.330977D+01  0.724154D+01  0.375744D+01  0.987998D+01 -0.449411D+01
                56            57            58            59            60 
      1   0.690823D+01  0.225264D+01  0.340022D+01 -0.526255D+01  0.678582D+01
      2   0.590479D+00  0.667386D+00  0.657531D+00  0.852670D+00  0.123067D+00
      3  -0.103169D+02 -0.329601D+01 -0.328955D+01 -0.145336D+02 -0.298427D+01
                61            62            63            64            65 
      1   0.689266D+01  0.244804D+02  0.682795D+01  0.249205D+01  0.359129D+01
      2  -0.321023D+01 -0.270566D+01  0.660065D+00  0.152439D+02 -0.321464D+01
      3  -0.633816D+01 -0.650582D+01 -0.533969D+01 -0.810348D+00 -0.103707D+02
                66            67            68            69            70 
      1   0.224663D+01 -0.424706D+01  0.794789D+00 -0.485781D+01  0.784876D+00
      2   0.157923D+02  0.141286D-01  0.783172D+01  0.148944D+01  0.496726D+01
      3   0.604114D+00 -0.929437D+01  0.956777D+01 -0.607469D+01 -0.936050D+00
                71            72            73            74            75 
      1   0.722935D+01 -0.182995D+00  0.552552D+00 -0.756387D+00  0.135751D+01
      2   0.118645D+01 -0.270092D+01  0.269391D+01 -0.103349D+01  0.162422D+01
      3  -0.694026D+01 -0.251093D+01 -0.357711D+00 -0.155745D+01  0.210382D+00
                76            77            78            79            80 
      1  -0.408051D-01  0.123334D+01 -0.921197D+00  0.685598D+00  0.370649D+01
      2  -0.189085D+01 -0.127740D+01 -0.208815D+01 -0.430180D+01 -0.584388D+00
      3   0.326212D+01  0.564047D+00  0.138401D+01  0.217174D+01  0.232809D+01
                81            82            83            84            85 
      1  -0.156567D+01  0.109717D+01 -0.253704D+00 -0.209946D+01  0.408152D+00
      2  -0.160358D+01  0.223460D+01 -0.747617D+00  0.310113D+01 -0.840238D-01
      3   0.651229D+00  0.345056D+01 -0.230850D+01 -0.498625D-01  0.343618D+01
                86            87            88            89            90 
      1  -0.161834D+01 -0.188414D+01 -0.149615D+01  0.170469D+01  0.291160D+01
      2  -0.113321D+01  0.119756D+01 -0.253113D+01 -0.861910D-01 -0.204279D+01
      3  -0.265254D+01  0.842237D+00 -0.196456D+01  0.168838D+01  0.103168D+01
                91            92            93            94            95 
      1  -0.368822D+01 -0.163371D+01 -0.295114D+01 -0.242357D+01 -0.121272D+01
      2   0.805821D+01  0.486972D+01  0.852331D+01  0.472148D+01  0.445499D+01
      3  -0.284362D+01 -0.580867D+01 -0.277868D+01 -0.689365D+01 -0.925605D+01
                96            97            98            99           100 
      1  -0.341774D+01 -0.567221D+01 -0.298655D+01 -0.603535D+01  0.230296D+01
      2   0.739754D+01  0.113711D+02  0.110614D+02  0.176096D+02 -0.418554D+01
      3  -0.278502D+01 -0.411020D+01 -0.628176D+01 -0.721858D+01  0.115794D+02
               101           102           103           104           105 
      1  -0.183052D+01 -0.101492D+01 -0.173217D+01  0.242135D+01 -0.283012D+00
      2   0.224012D+01  0.634410D+01  0.376409D+01 -0.323336D+01 -0.468564D+01
      3  -0.864867D+01 -0.425559D+01 -0.860299D+01  0.104274D+02  0.467885D+01
               106           107           108           109           110 
      1  -0.195205D+01  0.159220D+01  0.742144D+00 -0.394109D+00 -0.105030D+01
      2   0.480552D+01 -0.135956D+01 -0.487717D+01 -0.148306D+01  0.203363D+01
      3  -0.496742D+01  0.541250D+01  0.277747D+01 -0.285415D+01 -0.457818D+00
               111           112           113           114           115 
      1  -0.285976D+00  0.129903D+01  0.132164D+01 -0.431865D+01 -0.289113D+01
      2   0.113700D+01 -0.184041D+01 -0.114239D+02  0.982762D+01  0.436521D+01
      3  -0.136183D+01 -0.690445D+01 -0.236785D+02  0.114537D+02  0.212297D+01
               116           117           118           119           120 
      1  -0.198004D+01  0.338371D+01 -0.451214D+01 -0.364967D+01 -0.408183D+01
      2   0.119251D+02 -0.103162D+02 -0.126230D+01 -0.105756D+01  0.992239D+00
      3   0.147978D+02 -0.109135D+02  0.620026D+01  0.213128D+01  0.377425D+01
               121           122           123           124           125 
      1  -0.123640D+01 -0.540080D+01 -0.663603D+01 -0.406851D+01 -0.103671D+02
      2  -0.525728D+00 -0.942465D+00  0.214939D+00 -0.192567D+01 -0.397900D+00
      3   0.663482D+01  0.706906D+01  0.239439D+01  0.104707D+02  0.546405D+01
               126           127           128           129           130 
      1  -0.133760D+02  0.147725D+01 -0.211446D+01  0.132149D+00  0.650932D+00
      2  -0.884422D+00  0.896616D+00  0.988538D+00  0.114832D+01  0.514939D-01
      3   0.457416D+01 -0.827119D+00  0.859296D+00 -0.129916D+01  0.843056D+01
               131           132           133           134           135 
      1   0.733735D+01 -0.719959D+01 -0.271268D+01 -0.785241D+01  0.615402D+01
      2  -0.108045D+01 -0.284489D-01 -0.177730D+01  0.373222D+00 -0.879200D-01
      3   0.570747D+01 -0.459276D+00 -0.462935D+01 -0.258874D+00  0.232486D+01
               136           137           138           139           140 
      1  -0.769297D+01 -0.476249D+01 -0.346341D+01 -0.776559D+01  0.856287D+01
      2  -0.195841D+02  0.322140D+01  0.476487D+01  0.417744D+01 -0.327087D+01
      3   0.165579D+00  0.201177D+01  0.288883D+01  0.920489D+01 -0.700721D+01
               141           142           143           144           145 
      1  -0.158405D+02 -0.292012D+01 -0.805386D+01 -0.388024D+01 -0.172801D+01
      2  -0.685003D+00  0.814660D+00 -0.106832D+01  0.605051D+01 -0.111577D+02
      3   0.902943D+01  0.256982D+01  0.606952D+01  0.401756D+01  0.802456D+01
               146           147           148           149           150 
      1  -0.524239D+00 -0.208255D+01  0.190839D+00 -0.222260D+01 -0.219324D+01
      2  -0.198219D+01 -0.104593D+02 -0.279334D+01 -0.107099D+02 -0.661803D+01
      3   0.141943D+02  0.338859D+01  0.285028D+02 -0.182052D+02  0.987553D+01
               151           152           153           154           155 
      1  -0.305974D+01  0.137120D+01  0.342801D+01  0.479062D+01 -0.279096D+01
      2  -0.204018D+02 -0.548510D+01  0.185711D+02  0.242614D+02 -0.341311D+01
      3   0.421060D+01  0.103024D+02  0.818343D+01  0.315250D+01 -0.131755D+01
               156           157           158           159           160 
      1   0.636606D-01 -0.210468D+01  0.432625D+00  0.157046D+00 -0.606669D+00
      2  -0.899155D+00 -0.455569D+01  0.135546D+01 -0.216110D+00 -0.458736D+01
      3  -0.314944D+00  0.182022D+01  0.258990D-01 -0.506396D+00 -0.210717D+00
               161           162           163           164           165 
      1   0.145869D+01  0.683566D+00  0.404556D+01  0.504405D+01  0.322914D+01
      2   0.251484D+00  0.219698D+01 -0.111511D+01 -0.862684D+00  0.289717D+01
      3   0.523846D+00  0.164123D+00 -0.223606D+01 -0.402969D+01 -0.258304D+01
               166           167           168           169           170 
      1   0.408254D+01  0.562060D+01  0.539731D+01  0.327171D+01  0.636534D+01
      2  -0.285439D+01  0.105517D+01  0.318879D+01 -0.299812D+01  0.626368D+00
      3  -0.145530D+01 -0.348995D+01 -0.430813D+01 -0.143728D+01 -0.351411D+01
               171           172           173           174           175 
      1   0.605891D+01 -0.892640D+00  0.290482D+01  0.623083D+00  0.352441D+01
      2   0.344163D+01  0.732357D+00  0.382339D+00  0.105101D+01  0.292435D+01
      3  -0.368416D+01  0.893916D+00 -0.265821D+01  0.533966D+00  0.110881D+01
               176           177           178           179           180 
      1  -0.137486D+02  0.306850D+01 -0.472919D+00  0.488713D+01 -0.182545D+01
      2   0.330494D+01 -0.452843D+01 -0.155414D+01 -0.135164D+01  0.193941D+01
      3   0.103424D+02 -0.578467D+01 -0.685960D+00 -0.281435D+01  0.209217D+01
               181           182           183           184           185 
      1  -0.891890D+00 -0.585089D+00  0.844055D+00 -0.154445D+00 -0.426452D+00
      2  -0.436376D+01  0.146443D+00  0.640471D+01  0.841633D-01 -0.111430D+01
      3  -0.174181D+01 -0.241184D+01  0.816589D+00 -0.235222D+01  0.644105D-01
               186           187           188           189           190 
      1  -0.239951D+00  0.143905D+01  0.332837D+01 -0.368326D+01  0.438598D+00
      2   0.332658D+01  0.631226D+01  0.222505D+01 -0.244921D+02  0.227227D+01
      3   0.179946D+01  0.944611D+00  0.398517D+01 -0.341993D+01  0.474860D+01
               191           192           193           194           195 
      1  -0.290087D+00  0.975826D+00 -0.265236D+00  0.123153D+01 -0.384363D+01
      2  -0.126792D+01  0.310642D+01 -0.175798D+01  0.541053D+01 -0.548054D+01
      3  -0.744026D+01  0.724035D+00 -0.112017D+02  0.268276D+02 -0.471316D+01
               196           197           198           199           200 
      1   0.651886D+00  0.229103D+00  0.725900D+00  0.135647D+01  0.939698D+00
      2   0.299973D+01 -0.292508D+01  0.143269D+01  0.803218D+01  0.338160D+01
      3   0.957538D+00 -0.547628D+01  0.246689D+01 -0.104138D+02 -0.898037D+01
               201           202           203           204           205 
      1   0.137413D+00  0.938348D+00  0.121095D+01 -0.795580D+00  0.130571D+01
      2   0.839101D+01  0.510265D+01  0.542629D+01  0.742035D+01  0.750266D+01
      3  -0.433700D+01 -0.107698D+02 -0.890548D+01 -0.591749D+01 -0.577878D+01
               206           207           208           209           210 
      1   0.178663D+01  0.135316D+00  0.247559D+01 -0.106875D+01  0.241632D+00
      2   0.429762D+01  0.754925D+01 -0.764394D+00  0.573858D+00  0.170312D+01
      3  -0.755592D+01 -0.545117D+01 -0.185834D+01  0.537117D-01 -0.149243D+01
               211           212           213           214           215 
      1   0.896342D+00  0.114177D+02 -0.665411D+01 -0.123626D+01 -0.828975D+01
      2  -0.153104D+01 -0.289010D+01  0.162677D+01  0.912786D+00  0.338543D+01
      3   0.601945D+01 -0.120226D+02  0.137550D+01 -0.496383D+01  0.618862D+01
               216           217           218           219           220 
      1   0.520351D+01 -0.226817D+01 -0.201650D+01 -0.299674D+01 -0.337663D+00
      2  -0.196208D+01 -0.164234D+00  0.111893D+01  0.210528D+01 -0.590091D+00
      3  -0.248292D+01  0.282967D+01 -0.307645D+01 -0.153208D+00  0.231536D+01
               221           222           223           224           225 
      1   0.424651D+00 -0.318996D+01 -0.150559D+01 -0.356792D+01 -0.834629D+01
      2   0.179640D+01  0.195547D+01 -0.363000D+01  0.372226D+01  0.540964D+01
      3  -0.432938D+01 -0.120293D+01  0.391862D+01 -0.194724D+01 -0.237623D+01
               226           227           228           229           230 
      1  -0.149353D+01  0.138033D+01  0.328941D+01  0.115261D+01 -0.148004D+01
      2  -0.835090D+00  0.259413D+01  0.455534D+01  0.272362D+00 -0.302390D+01
      3  -0.305210D+01 -0.147026D+01 -0.241538D+00  0.303958D+01  0.517734D+01
               231           232           233           234 
      1  -0.273459D+01  0.315807D+01  0.236726D+01 -0.211511D+01
      2  -0.324459D+01  0.210509D+01  0.155726D+01 -0.177584D+01
      3   0.111396D+01  0.138546D+01  0.235998D+01 -0.195494D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.140322D+02 -0.564961D+01 -0.934149D+01 -0.823529D+01 -0.236189D+01
      2   0.102314D+02  0.229605D+01  0.154123D+01  0.257010D+01  0.783219D+01
      3   0.380088D+01  0.335356D+01  0.780026D+01  0.566520D+01 -0.547030D+01
      4   0.580796D+00 -0.974328D+00 -0.335975D+01 -0.187467D+01 -0.298541D+01
      5  -0.667156D+00 -0.557279D+01 -0.114598D+02  0.738196D+00  0.579130D+00
      6  -0.303720D+01  0.781866D-01  0.408461D+01  0.312231D+01  0.308556D+01
                 6             7             8             9            10 
      1   0.671952D+01 -0.235223D+02 -0.228588D+01 -0.281249D+01 -0.661134D+01
      2  -0.211874D+01  0.835835D+01  0.335751D+01  0.686481D+01  0.638008D+01
      3  -0.460078D+01  0.151639D+02 -0.107163D+01 -0.405231D+01  0.231251D+00
      4   0.306001D+00 -0.851602D+01  0.721670D+01  0.837583D+01 -0.712427D+00
      5   0.532956D+01 -0.923352D+01  0.722176D+01  0.863634D+01  0.473233D+01
      6  -0.480006D+01  0.830978D+01 -0.370843D+01 -0.759929D+01  0.580062D+01
                11            12            13            14            15 
      1   0.678864D+01 -0.325272D+01  0.932294D+01 -0.119123D+02 -0.612226D+00
      2   0.335356D+00  0.258967D+01 -0.290632D+01  0.126759D+02  0.279318D+01
      3  -0.712400D+01  0.663047D+00 -0.641662D+01 -0.763670D+00 -0.218096D+01
      4  -0.664616D+01  0.109514D+02 -0.137441D+02  0.841722D+01  0.682911D+01
      5   0.906258D+01 -0.934325D+01  0.304486D+01  0.361908D+01 -0.324666D+01
      6   0.949777D+00 -0.586036D+01  0.643226D+01  0.348730D+01 -0.184260D+01
                16            17            18            19            20 
      1  -0.579694D+01  0.135715D+02 -0.638267D+01  0.572548D+00  0.895763D+01
      2   0.277718D+01 -0.705908D+01  0.719293D+01  0.191424D+01 -0.203743D+01
      3   0.301976D+01 -0.651246D+01 -0.810260D+00 -0.248679D+01 -0.692020D+01
      4   0.198135D+02  0.402638D+01 -0.273513D+01  0.418393D+01  0.835089D-01
      5  -0.870941D+01 -0.392120D+01  0.506325D+01 -0.370162D+01 -0.359626D+01
      6  -0.657764D+01 -0.782924D+00  0.443057D+01 -0.674344D+00 -0.545037D+01
                21            22            23            24            25 
      1   0.585117D+01  0.156670D+02  0.230795D+02 -0.495094D+01  0.831367D+01
      2  -0.134834D+01 -0.888941D+01 -0.284294D+02  0.121364D+02 -0.317214D+00
      3  -0.450283D+01 -0.677762D+01  0.534999D+01 -0.718542D+01 -0.799645D+01
      4  -0.595424D+01 -0.162124D+01 -0.194417D+02 -0.601731D+01 -0.637825D+01
      5  -0.846264D+01 -0.606406D+01 -0.571296D+01 -0.104153D+02 -0.102595D+02
      6  -0.711948D+01 -0.420420D+01  0.202315D+01 -0.109848D+02 -0.107223D+02
                26            27            28            29            30 
      1  -0.398301D+01  0.981924D+01  0.197361D+02  0.118920D+02  0.187224D+01
      2   0.231818D+02 -0.140956D+01 -0.147507D+02 -0.628022D+01 -0.245536D+01
      3  -0.191988D+02 -0.840968D+01 -0.498542D+01 -0.561179D+01  0.583116D+00
      4  -0.723407D+01 -0.176656D+02  0.334235D+01  0.220980D+02  0.666424D+01
      5  -0.164773D+02 -0.156008D+02  0.470552D+01  0.490223D+01  0.700161D+01
      6  -0.239104D+02 -0.184121D+02  0.139573D+01 -0.546987D+00 -0.196320D+01
                31            32            33            34            35 
      1   0.142005D+02  0.304272D+02  0.996410D+01  0.929136D+01  0.881005D+01
      2  -0.103804D+02 -0.209063D+02 -0.414369D+01 -0.816479D+01 -0.689026D+01
      3  -0.382017D+01 -0.952088D+01 -0.582041D+01 -0.112657D+01 -0.191978D+01
      4   0.263002D+02  0.572889D+02  0.108547D+01  0.724153D+01  0.475337D+01
      5   0.867502D+01 -0.592790D+00  0.148142D+02  0.176631D+02  0.101982D+02
      6  -0.162653D+01  0.514803D+01  0.350904D+01 -0.204473D+00  0.102083D+02
                36            37            38            39            40 
      1   0.763947D+01 -0.212065D+02  0.215597D+01 -0.380752D+01  0.118967D+02
      2  -0.133130D+02  0.162467D+02 -0.248285D+01  0.488764D+00 -0.807077D+01
      3   0.567355D+01  0.495983D+01  0.326874D+00  0.331876D+01 -0.382590D+01
      4   0.737800D+01  0.381067D+01 -0.236003D+02 -0.206960D+02 -0.389660D+02
      5   0.937058D+01 -0.734607D+01 -0.220408D+02 -0.169913D+02 -0.195893D+02
      6  -0.104395D+01 -0.914178D+01 -0.528386D+01 -0.508317D+01  0.299802D+01
                41            42            43            44            45 
      1  -0.257451D+02 -0.252778D+02 -0.123422D+02 -0.311639D+02 -0.201544D+02
      2   0.121282D+02  0.172224D+02  0.622489D+01  0.227114D+02  0.811834D+01
      3   0.136169D+02  0.805542D+01  0.611732D+01  0.845250D+01  0.120361D+02
      4  -0.287563D+02  0.168588D+02 -0.231955D+02  0.153983D+02 -0.291894D+02
      5   0.212928D+02 -0.204932D+02 -0.376872D+02 -0.342860D+02 -0.112831D+02
      6   0.126300D+02 -0.150388D+02 -0.137664D+02 -0.226928D+02 -0.109208D+01
                46            47            48            49            50 
      1  -0.216252D+02 -0.119883D+02 -0.764394D+00 -0.288310D+02 -0.428029D+02
      2   0.132263D+02  0.133986D+02  0.228940D+01  0.259739D+02  0.389703D+02
      3   0.839893D+01 -0.141022D+01 -0.152500D+01  0.285715D+01  0.383264D+01
      4   0.793179D+01 -0.170320D+02 -0.133794D+02 -0.256065D+02 -0.387399D+02
      5   0.108448D+02 -0.106709D+02 -0.348268D+01 -0.106789D+02  0.780444D+01
      6  -0.759754D+01  0.830861D+01  0.296758D+01  0.905620D+01 -0.127108D+02
                51            52            53            54            55 
      1  -0.472175D+01 -0.362099D+01 -0.890472D+01 -0.159879D+02  0.599588D+01
      2   0.695579D+00  0.358815D+01 -0.444152D+01  0.276580D+01 -0.541286D+01
      3   0.402617D+01  0.328382D-01  0.133462D+02  0.132221D+02 -0.583020D+00
      4   0.102770D+02 -0.202060D+02  0.136054D+02 -0.885932D+01  0.165693D+00
      5  -0.115388D+02 -0.913383D+00 -0.856577D+01 -0.167254D+01 -0.452410D+01
      6   0.303127D+01  0.563090D+01  0.170115D+02  0.911261D+00 -0.241498D+01
                56            57            58            59            60 
      1   0.104188D+02  0.750398D+01  0.124296D+02  0.460650D+02 -0.460639D+01
      2  -0.120246D+02 -0.105556D+02 -0.129251D+02 -0.494403D+02  0.975387D+01
      3   0.160576D+01  0.305164D+01  0.495420D+00  0.337528D+01 -0.514748D+01
      4   0.314133D+00  0.292888D-01  0.822847D+01  0.336823D+01 -0.115490D+02
      5  -0.695316D+00 -0.463781D+01  0.673100D-01 -0.713804D+01  0.308403D+00
      6  -0.111836D+02 -0.341777D+01 -0.626539D+01  0.130996D+02 -0.186446D+02
                61            62            63            64            65 
      1   0.912965D+01 -0.803036D+01  0.252073D+02 -0.100633D+01  0.497699D+01
      2  -0.806109D+01  0.155571D+02 -0.290732D+02 -0.525592D+01 -0.506398D+01
      3  -0.106856D+01 -0.752675D+01  0.386596D+01  0.626226D+01  0.869894D-01
      4  -0.200464D+01 -0.137378D+02 -0.429868D+01  0.461743D+01  0.628844D+01
      5  -0.212919D+01 -0.521847D+01 -0.424176D+01  0.149732D+02 -0.648422D+00
      6  -0.115517D+02 -0.421430D+02 -0.764640D+01 -0.166202D+01  0.546076D+01
                66            67            68            69            70 
      1   0.125751D+02  0.790149D+01  0.155704D+02  0.145940D+01  0.237197D+02
      2  -0.983105D+01 -0.618980D+01 -0.885025D+01 -0.304543D+01 -0.156440D+02
      3  -0.274406D+01 -0.171170D+01 -0.672019D+01  0.158602D+01 -0.807572D+01
      4  -0.315315D+01  0.226084D+02 -0.174752D+02  0.872673D+01 -0.467103D+01
      5   0.158941D+02  0.634469D-01  0.937206D+01  0.272264D+01  0.227010D+02
      6  -0.205378D+00  0.149701D+01 -0.665437D+01  0.437655D+01 -0.284793D+01
                71            72            73            74            75 
      1  -0.156138D+01  0.157208D+02  0.197087D+01  0.524598D+00  0.321409D+01
      2  -0.133678D+01 -0.128175D+02 -0.468452D+01  0.102836D+01  0.384890D+01
      3   0.289816D+01 -0.290331D+01  0.271365D+01 -0.155296D+01 -0.706299D+01
      4   0.770607D+01 -0.713976D+00 -0.727581D+01  0.749720D+01  0.561745D+01
      5   0.111556D+01 -0.220743D+01 -0.875880D+01  0.570315D+01  0.138434D+02
      6   0.536663D+01  0.148915D+01  0.541722D+01 -0.430201D+01 -0.636194D+01
                76            77            78            79            80 
      1   0.134006D+01 -0.955027D+01 -0.927107D+01  0.338595D+01 -0.836842D+01
      2   0.817652D+00  0.378252D+01  0.709466D+00  0.383932D+01 -0.176656D+01
      3  -0.215771D+01  0.576775D+01  0.856160D+01 -0.722527D+01  0.101350D+02
      4   0.404690D+01 -0.477398D+01 -0.607496D+01  0.529290D+01 -0.644107D+01
      5   0.451042D+01 -0.616343D+01 -0.755204D+01  0.978408D+01 -0.815961D+01
      6  -0.349558D+01  0.100397D+02  0.131160D+02 -0.549955D+01  0.130770D+02
                81            82            83            84            85 
      1  -0.194592D+02  0.931315D+01  0.804135D+00 -0.335232D+00 -0.200542D+01
      2  -0.986335D+01 -0.674242D+01  0.446526D+00  0.235738D+01  0.166304D+01
      3   0.293225D+02 -0.257073D+01 -0.125066D+01 -0.202215D+01  0.342381D+00
      4  -0.948651D+01  0.150918D+02  0.140295D+02 -0.104407D+02  0.102919D+02
      5  -0.172129D+02 -0.130843D+02 -0.912325D+01  0.141177D+02 -0.713335D+01
      6   0.191773D+02 -0.880399D+01 -0.796741D+01  0.841333D+01 -0.714405D+01
                86            87            88            89            90 
      1  -0.684155D+01  0.342162D+01 -0.993821D+00  0.286058D+01 -0.585358D+01
      2   0.810917D+01 -0.193962D+01  0.337893D+01 -0.138779D+00 -0.374371D+01
      3  -0.126762D+01 -0.148200D+01 -0.238511D+01 -0.272180D+01  0.959729D+01
      4   0.141151D+02 -0.974321D+01 -0.988835D+01 -0.104151D+02  0.114944D+02
      5  -0.887111D+01  0.686412D+01  0.117508D+02  0.979429D+01 -0.137200D+02
      6  -0.125511D+02  0.115183D+02  0.934609D+01  0.130372D+02 -0.145562D+02
                91            92            93            94            95 
      1   0.364129D+02  0.133387D+02  0.159098D+02  0.154716D+02  0.127008D+02
      2  -0.199116D+02 -0.542846D+01 -0.805690D+01 -0.579443D+01 -0.316748D+01
      3  -0.165012D+02 -0.791023D+01 -0.785286D+01 -0.967715D+01 -0.953336D+01
      4   0.173407D+02  0.138679D+02  0.109491D+02  0.231690D+02  0.221067D+02
      5   0.202463D+02  0.110044D+02  0.180556D+02  0.108935D+02  0.926829D+01
      6   0.661053D+01  0.352092D+01  0.452514D+01  0.463880D+01  0.427344D+01
                96            97            98            99           100 
      1   0.725847D+01  0.364130D+02  0.165391D+02  0.167164D+02  0.510128D+02
      2  -0.224917D+01 -0.209446D+02 -0.844610D+01 -0.126697D+02 -0.295227D+02
      3  -0.500929D+01 -0.154683D+02 -0.809303D+01 -0.404671D+01 -0.214901D+02
      4   0.947587D+01  0.237122D+02  0.180807D+02  0.202086D+02 -0.148583D+02
      5   0.139023D+02  0.325128D+02  0.230398D+02  0.354314D+02 -0.161610D+02
      6   0.833833D+01  0.109085D+02  0.122098D+02  0.113665D+02  0.131760D+01
               101           102           103           104           105 
      1  -0.160295D+02 -0.122190D+02 -0.369077D+02  0.136333D+02  0.974116D+01
      2   0.102225D+02  0.884255D+01  0.211859D+02 -0.712821D+01 -0.752038D+01
      3   0.580708D+01  0.337649D+01  0.157217D+02 -0.650507D+01 -0.222078D+01
      4   0.125903D+02  0.541327D+01  0.187947D+02 -0.168946D+02 -0.746000D+01
      5   0.654245D+01  0.138432D+02  0.134986D+02 -0.795451D+01 -0.980258D+01
      6  -0.351984D+00  0.355952D+00 -0.190225D+01  0.180059D+01  0.292883D+01
               106           107           108           109           110 
      1  -0.184379D+02  0.675002D+01  0.109728D+02  0.480773D+01  0.721659D+01
      2   0.131394D+02 -0.594825D+01 -0.951136D+01 -0.264628D+01 -0.448065D+01
      3   0.529843D+01 -0.801778D+00 -0.146145D+01 -0.216145D+01 -0.273594D+01
      4   0.645894D+01 -0.701140D+01 -0.366710D+01  0.498099D+01  0.465140D+01
      5   0.185045D+02 -0.414063D+01 -0.119273D+02 -0.269172D+01  0.146645D+00
      6  -0.732541D+00  0.393707D+01  0.115454D+01 -0.170674D+01  0.167056D+01
               111           112           113           114           115 
      1  -0.415556D+01  0.137321D+02 -0.137685D+01  0.550883D+01 -0.784626D+01
      2   0.200626D+01 -0.460830D+01  0.122063D+02 -0.560280D+01  0.439230D+01
      3   0.214930D+01 -0.912385D+01 -0.108295D+02  0.939629D-01  0.345395D+01
      4  -0.238574D+00  0.230156D+02  0.418792D+02 -0.197571D+02 -0.903581D+01
      5   0.470082D+01 -0.844713D+01 -0.225177D+02  0.188737D+02  0.176643D+02
      6   0.432915D+00 -0.757344D+01 -0.196650D+02  0.143531D+02  0.847929D+01
               116           117           118           119           120 
      1   0.693958D+01 -0.765855D+00 -0.290082D+01 -0.676050D+01 -0.491925D+01
      2  -0.650367D+01 -0.213329D+01  0.304524D+01  0.872713D+01  0.502673D+01
      3  -0.435914D+00  0.289914D+01 -0.144425D+00 -0.196663D+01 -0.107486D+00
      4  -0.234567D+02  0.204216D+02  0.616899D+01  0.931916D+01  0.526544D+01
      5   0.240447D+02 -0.197079D+02  0.246866D+01  0.367359D+01  0.553560D+01
      6   0.182298D+02 -0.136992D+02  0.742902D+01  0.801188D+01  0.608918D+01
               121           122           123           124           125 
      1  -0.627246D+01 -0.258676D+02 -0.939234D+01 -0.799284D+01 -0.209631D+02
      2   0.793337D+01  0.311794D+02  0.105759D+02  0.661646D+01  0.207201D+02
      3  -0.166091D+01 -0.531181D+01 -0.118361D+01  0.137638D+01  0.243031D+00
      4   0.382806D+01  0.425003D+01  0.383269D+01  0.597229D+01  0.629410D+01
      5   0.172326D+01  0.298537D+01  0.147263D+01  0.540297D+01  0.470978D+01
      6   0.464894D+01  0.154930D+02  0.154310D+02  0.877726D+01  0.300213D+02
               126           127           128           129           130 
      1  -0.207735D+02 -0.940524D+00  0.309433D+01 -0.208050D+01 -0.422345D+01
      2   0.157150D+02  0.441186D+01 -0.613436D+01  0.250988D+01  0.219715D+01
      3   0.505845D+01 -0.347134D+01  0.304003D+01 -0.429380D+00  0.202630D+01
      4   0.504525D+01 -0.365838D+01  0.116012D+02 -0.353742D+01  0.527868D+01
      5   0.326091D+01  0.262646D+01 -0.214804D+01  0.422197D+01 -0.184289D+01
      6   0.247369D+02 -0.425370D+01  0.522096D+01 -0.526201D+00  0.126924D+00
               131           132           133           134           135 
      1  -0.461108D+02  0.148562D+02  0.407849D+00  0.251313D+02 -0.181306D+02
      2   0.637339D+02 -0.192492D+02  0.822745D+00 -0.303291D+02  0.169913D+02
      3  -0.176231D+02  0.439296D+01 -0.123059D+01  0.519775D+01  0.113928D+01
      4  -0.100575D+02  0.448001D+01 -0.338974D+01  0.577345D+01 -0.314685D+01
      5   0.311434D+01 -0.137640D+01  0.325973D+01 -0.150767D+01  0.229692D+01
      6  -0.294624D+02  0.171388D+02  0.262650D+01  0.296548D+02 -0.167354D+02
               136           137           138           139           140 
      1   0.162002D+02 -0.482364D+01 -0.624825D+00 -0.808081D+01  0.748134D+01
      2  -0.793255D+00  0.729533D+01  0.898953D+01  0.122328D+02 -0.249608D+01
      3  -0.154070D+02 -0.247169D+01 -0.836471D+01 -0.415203D+01 -0.498526D+01
      4  -0.911116D+01 -0.368900D+01 -0.218292D+01 -0.105409D+02  0.165694D+02
      5  -0.826203D-01 -0.700337D+01 -0.156998D+02 -0.876182D+01 -0.218586D+02
      6  -0.532362D+01 -0.951940D+01 -0.362313D+01 -0.145834D+02  0.215290D+02
               141           142           143           144           145 
      1  -0.498793D+01 -0.393413D+00 -0.253853D+01 -0.104585D+02  0.451186D+01
      2   0.161102D+02  0.832706D+01  0.120954D+02  0.406054D+01 -0.181337D+01
      3  -0.111223D+02 -0.793365D+01 -0.955685D+01  0.639791D+01 -0.269849D+01
      4  -0.180898D+02 -0.759756D+00 -0.111119D+02 -0.421631D+01 -0.176421D+02
      5  -0.999166D+01 -0.224176D+02 -0.679324D+01 -0.109694D+02 -0.221236D+02
      6  -0.205967D+02 -0.252528D+01 -0.169368D+02 -0.894153D+01  0.644345D+00
               146           147           148           149           150 
      1  -0.186533D+02 -0.189441D+02 -0.249271D+02 -0.242411D+02 -0.868225D+01
      2   0.152713D+02  0.780480D+01  0.230213D+02  0.437262D+00  0.742098D+01
      3   0.338206D+01  0.111393D+02  0.190579D+01  0.238039D+02  0.126126D+01
      4  -0.251861D+02 -0.372919D+01 -0.440539D+02  0.383195D+02 -0.179170D+02
      5  -0.405831D+01 -0.195052D+02 -0.651591D+01 -0.161801D+02 -0.125547D+02
      6  -0.205041D+01  0.627228D+00 -0.288881D+01  0.266558D+01 -0.156563D+01
               151           152           153           154           155 
      1  -0.257230D+02 -0.820838D+01 -0.213321D+02 -0.909653D+01 -0.464479D-01
      2   0.805149D+01  0.683737D+01  0.179922D+02  0.262818D+01 -0.452020D+00
      3   0.176715D+02  0.137101D+01  0.333995D+01  0.646835D+01  0.498468D+00
      4  -0.546864D+01 -0.196558D+02 -0.100315D+02  0.593316D+01 -0.152067D-01
      5  -0.275218D+02 -0.107034D+02  0.322711D+02 -0.148134D+02  0.178452D+01
      6   0.776864D+00  0.144685D+01 -0.395955D+01  0.182224D+01 -0.325794D+01
               156           157           158           159           160 
      1   0.950333D+01  0.182685D+01 -0.230371D+01 -0.134037D+01  0.455858D+01
      2   0.280398D+01 -0.221557D+01  0.117422D+01 -0.231680D+01  0.226076D+01
      3  -0.123073D+02  0.388725D+00  0.112949D+01  0.365717D+01 -0.681934D+01
      4  -0.114744D+01  0.172538D+01 -0.760808D+00  0.148052D+01 -0.106791D+01
      5   0.316485D+01  0.273127D+01  0.940644D+00  0.176499D+01  0.729569D+01
      6   0.196374D+01 -0.113760D+01 -0.104430D+01  0.387171D+01  0.428778D+00
               161           162           163           164           165 
      1  -0.911990D+00 -0.368915D+01  0.742673D+01  0.303493D+01  0.132701D+01
      2  -0.102973D+01 -0.276811D+01 -0.119005D+02 -0.494526D+01 -0.128271D+02
      3   0.194173D+01  0.645726D+01  0.447379D+01  0.191034D+01  0.115001D+02
      4  -0.632377D+00  0.122771D+01  0.627414D+01  0.663549D+01  0.471403D+01
      5   0.371244D+00 -0.398423D+01  0.189306D+02  0.795807D+01  0.224879D+02
      6   0.311197D+01  0.109637D+01  0.596615D+01  0.693169D+01  0.540072D+01
               166           167           168           169           170 
      1   0.417324D+01 -0.242576D+01 -0.408593D+01  0.190896D+00 -0.224596D+01
      2  -0.731340D+01 -0.248796D+01 -0.108995D+02 -0.994788D+01 -0.631512D+01
      3   0.314016D+01  0.491372D+01  0.149854D+02  0.975698D+01  0.856108D+01
      4   0.771583D+01  0.648378D+01  0.935897D+01  0.302421D+01  0.553524D+01
      5   0.128884D+02  0.119052D+02  0.170410D+02  0.171577D+02  0.850475D+01
      6   0.814511D+01  0.826756D+01  0.140746D+02  0.466370D+01  0.957306D+01
               171           172           173           174           175 
      1  -0.810570D+01  0.162820D-01 -0.114118D+01 -0.842674D-01 -0.280194D+00
      2  -0.180786D+02 -0.955439D-01 -0.107906D+01 -0.223536D+01 -0.231843D+01
      3   0.261843D+02  0.792620D-01  0.222024D+01  0.231963D+01  0.259862D+01
      4   0.635147D+01 -0.540673D+01  0.933116D+01 -0.418256D+01  0.114412D+02
      5   0.248851D+02  0.544503D+01 -0.540749D+01  0.851977D+01 -0.730580D+01
      6   0.106607D+02 -0.475852D+01  0.626682D+01 -0.299877D+01  0.895484D+01
               176           177           178           179           180 
      1  -0.163869D+02  0.127014D+02 -0.953253D+00  0.723635D+01 -0.737267D+01
      2   0.176167D+02 -0.467441D+01 -0.174398D+01 -0.129135D+01 -0.117910D+01
      3  -0.122988D+01 -0.802700D+01  0.269724D+01 -0.594500D+01  0.855177D+01
      4  -0.227567D+02  0.123558D+02 -0.170008D+01  0.561262D+01 -0.501531D+01
      5   0.139447D+02 -0.103287D+02  0.622007D+01 -0.486331D+01  0.773149D+01
      6  -0.318941D+02  0.232355D+02 -0.281948D+01  0.144435D+02 -0.112445D+02
               181           182           183           184           185 
      1   0.110469D+02  0.262631D+01 -0.925915D+01  0.606813D+01  0.316993D+01
      2  -0.845207D+01 -0.186974D+01  0.679022D+01 -0.437828D+01 -0.962510D+00
      3  -0.259485D+01 -0.756572D+00  0.246893D+01 -0.168984D+01 -0.220743D+01
      4   0.169243D+01  0.440876D+01  0.360931D+00  0.801502D+01 -0.145611D+01
      5  -0.111154D+02 -0.471686D+00  0.157518D+02 -0.193053D+01 -0.353466D+01
      6   0.580626D+00 -0.272755D+00 -0.108360D+01 -0.125712D+01 -0.682176D+00
               186           187           188           189           190 
      1  -0.300320D+00 -0.190670D+02  0.619514D+00  0.993563D+01  0.168694D+02
      2   0.117859D+01  0.146099D+02  0.879049D+00 -0.189584D+02 -0.420457D+01
      3  -0.878266D+00  0.445710D+01 -0.149856D+01  0.902272D+01 -0.126649D+02
      4  -0.379367D+01  0.183926D+01 -0.644397D+01  0.274398D+01 -0.151128D+02
      5   0.612635D+01  0.266784D+02  0.346828D+01 -0.481350D+02  0.392968D+01
      6   0.398124D+01 -0.207769D+01  0.360659D+01  0.445210D+01 -0.972141D+00
               191           192           193           194           195 
      1  -0.101849D+02  0.386276D+01 -0.212918D+02  0.970844D+01  0.303710D+00
      2   0.122577D+01 -0.135292D+01 -0.282056D-01  0.164429D+02 -0.261377D+01
      3   0.895918D+01 -0.250984D+01  0.213200D+02 -0.261513D+02  0.231006D+01
      4   0.197978D+02 -0.254725D+01  0.393992D+02 -0.570113D+02  0.932391D+01
      5  -0.185989D+01  0.520138D+01 -0.223491D+01  0.784498D+01 -0.900035D+01
      6   0.576928D+00 -0.463932D+00  0.147891D+01 -0.229954D+01  0.635585D+01
               196           197           198           199           200 
      1   0.898334D+01 -0.896473D+00  0.384682D+01  0.512460D+02  0.164701D+02
      2  -0.276356D+01 -0.186313D+01 -0.130304D+01 -0.265589D+02 -0.900787D+01
      3  -0.621978D+01  0.275960D+01 -0.254378D+01 -0.246871D+02 -0.746221D+01
      4  -0.620265D+01  0.112989D+02 -0.676498D+01  0.166642D+02  0.154008D+02
      5   0.101704D+02 -0.670700D+01  0.258634D+01  0.178290D+02  0.701662D+01
      6  -0.332900D+01  0.597998D+01 -0.270649D+01  0.117906D+01  0.455783D+00
               201           202           203           204           205 
      1   0.163421D+02  0.347295D+02  0.157997D+02  0.890157D+01  0.308574D+02
      2  -0.907898D+01 -0.178354D+02 -0.443874D+01 -0.546918D+01 -0.173103D+02
      3  -0.726312D+01 -0.168941D+02 -0.113610D+02 -0.343239D+01 -0.135471D+02
      4   0.690428D+01  0.248011D+02  0.153222D+02  0.109889D+02  0.944333D+01
      5   0.147650D+02  0.115180D+02  0.999296D+01  0.129185D+02  0.221324D+02
      6  -0.174229D+00  0.217962D+01  0.177653D+01  0.273656D+01  0.144779D+01
               206           207           208           209           210 
      1   0.762118D+01  0.145174D+02 -0.116653D+01  0.152358D+01 -0.192606D+01
      2  -0.520392D+01 -0.116623D+02  0.304839D+01 -0.177928D+01  0.611190D+00
      3  -0.241726D+01 -0.285510D+01 -0.188186D+01  0.255699D+00  0.131487D+01
      4   0.124144D+02  0.857973D+01  0.100423D+01  0.792653D+01 -0.572365D+00
      5   0.879416D+01  0.154134D+02 -0.143288D+01  0.328182D+00  0.349606D+01
      6   0.220602D+01  0.231273D+01 -0.202725D+01  0.623325D+00  0.987405D+00
               211           212           213           214           215 
      1  -0.944299D+00 -0.266693D+02  0.431441D+01 -0.205858D+01  0.123655D+02
      2   0.288646D+01  0.434404D+02 -0.906113D+01 -0.108345D+01 -0.216111D+02
      3  -0.194216D+01 -0.167710D+02  0.474672D+01  0.314204D+01  0.924560D+01
      4   0.637287D+01  0.150696D+02 -0.232927D+01 -0.273580D+01 -0.711164D+01
      5   0.213213D+00 -0.200261D+01  0.270368D+01  0.333667D+01  0.472975D+01
      6  -0.614650D+00 -0.847647D+01  0.747125D+01  0.248911D+01  0.137476D+02
               216           217           218           219           220 
      1  -0.636153D+01  0.347878D+01 -0.278239D+01 -0.179446D+01 -0.301096D+01
      2   0.628823D+01 -0.464259D+01 -0.408044D+00 -0.273427D+01  0.196784D+01
      3   0.732999D-01  0.116382D+01  0.319044D+01  0.452873D+01  0.104313D+01
      4   0.544018D+01  0.766013D+01  0.109013D+02  0.975251D+01  0.619963D+01
      5  -0.807173D+00  0.112262D+02  0.888439D+01  0.130012D+02  0.396773D+01
      6  -0.396927D+01  0.753791D+01  0.927920D+01  0.867755D+01  0.567275D+01
               221           222           223           224           225 
      1  -0.115979D+02 -0.704381D+01 -0.247941D+01 -0.113265D+02 -0.182213D+02
      2   0.918281D+01  0.253629D+01 -0.207848D+01 -0.132805D+01 -0.558689D+01
      3   0.241505D+01  0.450753D+01  0.455789D+01  0.126545D+02  0.238081D+02
      4   0.107478D+02  0.813923D+01  0.962946D+01  0.113449D+02  0.154823D+02
      5   0.829388D+01  0.744426D+01  0.124858D+02  0.143670D+02  0.218746D+02
      6   0.126425D+02  0.145233D+02  0.980546D+01  0.224962D+02  0.267321D+02
               226           227           228           229           230 
      1   0.186364D+02 -0.971914D+01 -0.384496D+01 -0.677141D+01 -0.385426D+01
      2  -0.407881D+01  0.204851D+00  0.167138D+01 -0.255165D+01  0.142201D+02
      3  -0.145576D+02  0.951429D+01  0.217357D+01  0.932306D+01 -0.103659D+02
      4  -0.291326D+02  0.240193D+02  0.110251D+02  0.206767D+02 -0.282950D+02
      5  -0.109990D+02  0.881589D+01  0.946506D+01  0.597133D+01 -0.843136D+01
      6   0.667278D+01 -0.716869D+01 -0.564418D+01 -0.580264D+01  0.100048D+02
               231           232           233           234 
      1  -0.156142D+01 -0.432761D+01  0.125957D+01  0.249547D+01
      2   0.313918D+01  0.136849D+01  0.447876D+01 -0.907782D+00
      3  -0.157777D+01  0.295913D+01 -0.573833D+01 -0.158769D+01
      4  -0.103316D+02  0.127926D+02 -0.158087D+02 -0.695845D+01
      5  -0.598578D+01  0.965261D+01 -0.448261D+01 -0.689572D+01
      6   0.696661D+01 -0.650285D+01  0.442805D+01  0.561185D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 21:35:57 2021, MaxMem= 17179869184 cpu:           15526.5 elap:            1297.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18634 -10.18232 -10.18086 -10.18060 -10.17848
 Alpha  occ. eigenvalues --  -10.17819 -10.17573 -10.17078 -10.17017 -10.16764
 Alpha  occ. eigenvalues --   -0.88178  -0.81050  -0.75244  -0.73180  -0.69590
 Alpha  occ. eigenvalues --   -0.68277  -0.64163  -0.57739  -0.53048  -0.49579
 Alpha  occ. eigenvalues --   -0.47385  -0.46262  -0.44743  -0.43873  -0.42263
 Alpha  occ. eigenvalues --   -0.41042  -0.40352  -0.38982  -0.38526  -0.37907
 Alpha  occ. eigenvalues --   -0.37384  -0.36727  -0.35631  -0.33175  -0.31465
 Alpha  occ. eigenvalues --   -0.26995  -0.25773  -0.23356
 Alpha virt. eigenvalues --   -0.01275   0.00051   0.00461   0.00566   0.01491
 Alpha virt. eigenvalues --    0.01910   0.02276   0.02930   0.03153   0.03876
 Alpha virt. eigenvalues --    0.04500   0.04649   0.05092   0.05622   0.06224
 Alpha virt. eigenvalues --    0.06750   0.07107   0.07878   0.08062   0.08532
 Alpha virt. eigenvalues --    0.08802   0.09036   0.09442   0.09641   0.10177
 Alpha virt. eigenvalues --    0.10531   0.10689   0.10928   0.11013   0.11715
 Alpha virt. eigenvalues --    0.11946   0.12275   0.12926   0.13328   0.13434
 Alpha virt. eigenvalues --    0.13863   0.14189   0.14253   0.14763   0.15204
 Alpha virt. eigenvalues --    0.15684   0.15973   0.16123   0.16533   0.16913
 Alpha virt. eigenvalues --    0.17490   0.17942   0.18336   0.18784   0.19108
 Alpha virt. eigenvalues --    0.19707   0.20118   0.20671   0.21248   0.21757
 Alpha virt. eigenvalues --    0.22399   0.22773   0.23004   0.23892   0.24457
 Alpha virt. eigenvalues --    0.24608   0.24965   0.25298   0.26176   0.26532
 Alpha virt. eigenvalues --    0.26700   0.27135   0.28085   0.28679   0.28964
 Alpha virt. eigenvalues --    0.30112   0.30849   0.31250   0.32042   0.32314
 Alpha virt. eigenvalues --    0.32852   0.33502   0.34117   0.34187   0.34647
 Alpha virt. eigenvalues --    0.35585   0.35890   0.36080   0.36526   0.36789
 Alpha virt. eigenvalues --    0.37678   0.38142   0.38693   0.38769   0.38921
 Alpha virt. eigenvalues --    0.39683   0.39971   0.40537   0.40786   0.42151
 Alpha virt. eigenvalues --    0.42722   0.42828   0.43303   0.43761   0.44664
 Alpha virt. eigenvalues --    0.45151   0.45717   0.45956   0.46252   0.46712
 Alpha virt. eigenvalues --    0.47847   0.48335   0.48513   0.48909   0.49835
 Alpha virt. eigenvalues --    0.50343   0.50846   0.51194   0.51545   0.52211
 Alpha virt. eigenvalues --    0.52609   0.53725   0.54626   0.55158   0.55291
 Alpha virt. eigenvalues --    0.56284   0.56528   0.57085   0.57931   0.58105
 Alpha virt. eigenvalues --    0.58233   0.59221   0.59876   0.60660   0.61142
 Alpha virt. eigenvalues --    0.61630   0.61821   0.62775   0.63435   0.63606
 Alpha virt. eigenvalues --    0.63807   0.64411   0.65638   0.66017   0.66408
 Alpha virt. eigenvalues --    0.66834   0.67254   0.67599   0.68540   0.68670
 Alpha virt. eigenvalues --    0.69451   0.69884   0.70283   0.71098   0.71647
 Alpha virt. eigenvalues --    0.72959   0.73146   0.74102   0.74309   0.74961
 Alpha virt. eigenvalues --    0.75397   0.75770   0.76744   0.77081   0.77805
 Alpha virt. eigenvalues --    0.78171   0.79062   0.80397   0.80746   0.81467
 Alpha virt. eigenvalues --    0.81938   0.82894   0.84155   0.85312   0.85735
 Alpha virt. eigenvalues --    0.86426   0.88086   0.89317   0.90147   0.91086
 Alpha virt. eigenvalues --    0.91675   0.93288   0.94193   0.95507   0.96637
 Alpha virt. eigenvalues --    0.97369   0.98858   0.99312   1.01005   1.01423
 Alpha virt. eigenvalues --    1.02487   1.03646   1.03987   1.06070   1.07739
 Alpha virt. eigenvalues --    1.08401   1.10021   1.12835   1.13129   1.14602
 Alpha virt. eigenvalues --    1.15328   1.15957   1.18281   1.19312   1.20920
 Alpha virt. eigenvalues --    1.21932   1.23413   1.26324   1.26599   1.28581
 Alpha virt. eigenvalues --    1.30022   1.31036   1.34383   1.34940   1.36437
 Alpha virt. eigenvalues --    1.38775   1.40623   1.42219   1.43305   1.44343
 Alpha virt. eigenvalues --    1.45330   1.46967   1.48696   1.49138   1.49849
 Alpha virt. eigenvalues --    1.50920   1.52231   1.53806   1.54278   1.55615
 Alpha virt. eigenvalues --    1.56834   1.57257   1.58634   1.59609   1.61160
 Alpha virt. eigenvalues --    1.62596   1.63371   1.64187   1.64907   1.65457
 Alpha virt. eigenvalues --    1.66909   1.68213   1.70327   1.71546   1.72091
 Alpha virt. eigenvalues --    1.73990   1.74803   1.74985   1.75205   1.76972
 Alpha virt. eigenvalues --    1.79378   1.80457   1.81321   1.83436   1.84879
 Alpha virt. eigenvalues --    1.85702   1.87225   1.87738   1.88389   1.88684
 Alpha virt. eigenvalues --    1.90575   1.91561   1.94004   1.95340   1.95668
 Alpha virt. eigenvalues --    1.95965   1.97608   1.97894   1.98319   2.00791
 Alpha virt. eigenvalues --    2.01066   2.02524   2.04338   2.06270   2.06722
 Alpha virt. eigenvalues --    2.08465   2.09812   2.11232   2.12261   2.13097
 Alpha virt. eigenvalues --    2.13879   2.16269   2.17176   2.17988   2.19493
 Alpha virt. eigenvalues --    2.19853   2.21649   2.22295   2.23618   2.24529
 Alpha virt. eigenvalues --    2.26071   2.28265   2.28631   2.31152   2.32612
 Alpha virt. eigenvalues --    2.33690   2.34122   2.36075   2.36392   2.38449
 Alpha virt. eigenvalues --    2.39511   2.40806   2.41226   2.43805   2.44633
 Alpha virt. eigenvalues --    2.46766   2.50125   2.51466   2.53000   2.55095
 Alpha virt. eigenvalues --    2.56096   2.58041   2.58692   2.59392   2.61678
 Alpha virt. eigenvalues --    2.62373   2.63936   2.66446   2.68507   2.70023
 Alpha virt. eigenvalues --    2.72882   2.73100   2.75301   2.78300   2.79718
 Alpha virt. eigenvalues --    2.80557   2.82167   2.83686   2.85706   2.91196
 Alpha virt. eigenvalues --    2.93933   2.98503   3.01259   3.04552   3.12477
 Alpha virt. eigenvalues --    3.17031   3.34952   3.49930   3.61815   4.13544
 Alpha virt. eigenvalues --    4.76833
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   16.914297  -4.353644  -5.908668   0.927708  -0.285501  -1.145798
     2  C   -4.353644  14.435247   1.995119  -1.596775  -0.063771   1.129512
     3  C   -5.908668   1.995119  17.265157  -1.186568  -0.788660  -3.305693
     4  C    0.927708  -1.596775  -1.186568  15.569406  -0.536454  -7.487715
     5  C   -0.285501  -0.063771  -0.788660  -0.536454   7.663997  -1.480185
     6  C   -1.145798   1.129512  -3.305693  -7.487715  -1.480185  19.954624
     7  C    1.614396  -3.373489  -1.458927  -0.991842   0.097141  -0.311393
     8  C   -0.296221  -0.662799  -0.775756   0.088279   0.198711  -0.661325
     9  H   -2.992324   1.017449   0.951118   0.080351   0.062682  -0.020023
    10  H    0.991188  -2.629282  -0.035777   0.143635  -0.000163  -0.034494
    11  H    0.041443  -0.004938  -0.053383  -0.205620   0.540294  -0.035772
    12  H   -0.163912   0.067781   0.178455   0.657797  -0.725556   0.019484
    13  H    0.133729  -0.023903  -0.373825   0.125285   0.435204  -0.050761
    14  H    0.287560  -0.252164  -0.113818  -0.086576  -0.049579   0.302903
    15  H   -0.323445   0.689483   0.061002   0.271871   0.045816   0.191488
    16  C   -0.725678  -0.731530   0.100280  -0.352395  -0.132768   0.466027
    17  C   -0.078136  -0.239176  -0.544253   0.253043   0.044838  -0.219374
    18  H   -0.080919  -0.275307  -0.469573   0.022871  -0.018744   0.112155
    19  H    0.067336  -0.108025   0.121580   0.034151   0.004713   0.018816
    20  H   -0.156445   0.123068   0.074807   0.064013   0.002331   0.027370
    21  H   -0.103597  -0.110561   0.010740  -0.017994  -0.000670   0.003667
    22  H   -0.282156   0.226343   0.168635  -0.050079   0.004384   0.025974
    23  H    0.228092  -0.279278  -0.099738   0.052702   0.001965  -0.060648
    24  H   -0.416578   0.268777   0.640965   0.071595  -0.205593   0.020029
    25  H    0.866845  -0.262977  -1.631149   0.360326  -0.018072   0.377107
    26  H   -0.059104  -0.151424   0.489433   0.770671   0.247938  -2.779303
               7          8          9         10         11         12
     1  C    1.614396  -0.296221  -2.992324   0.991188   0.041443  -0.163912
     2  C   -3.373489  -0.662799   1.017449  -2.629282  -0.004938   0.067781
     3  C   -1.458927  -0.775756   0.951118  -0.035777  -0.053383   0.178455
     4  C   -0.991842   0.088279   0.080351   0.143635  -0.205620   0.657797
     5  C    0.097141   0.198711   0.062682  -0.000163   0.540294  -0.725556
     6  C   -0.311393  -0.661325  -0.020023  -0.034494  -0.035772   0.019484
     7  C   10.973407  -0.585830  -0.051137   0.634345   0.003233  -0.076860
     8  C   -0.585830  10.040024  -0.182440  -0.185073   0.001427  -0.028928
     9  H   -0.051137  -0.182440   3.807027  -0.228557   0.006152   0.000338
    10  H    0.634345  -0.185073  -0.228557   3.720309   0.000579   0.000108
    11  H    0.003233   0.001427   0.006152   0.000579   1.308000  -0.225318
    12  H   -0.076860  -0.028928   0.000338   0.000108  -0.225318   2.124703
    13  H    0.021021   0.021127   0.008882   0.000560  -0.214293  -0.268924
    14  H    0.236157  -0.283455   0.012554   0.001294  -0.001403  -0.008458
    15  H   -1.126552   0.160964   0.001308  -0.283470   0.005350   0.006253
    16  C   -0.056149  -0.512333  -0.044466  -0.024277  -0.007736   0.015341
    17  C   -0.175010  -0.562489  -0.135762  -0.140563   0.001146  -0.000051
    18  H   -0.240963   0.342544   0.006938   0.002604  -0.006681   0.013141
    19  H    0.076487   0.182801  -0.007401   0.016862  -0.000510   0.001535
    20  H    0.050641   0.202191   0.011107  -0.005543   0.001308  -0.002263
    21  H    0.024884   0.799356  -0.061259  -0.055028  -0.000135  -0.000186
    22  H   -0.073885  -0.082416  -0.026937   0.038597  -0.000282   0.000513
    23  H    0.134632  -0.028349   0.038393  -0.030412   0.000225  -0.000405
    24  H   -0.074507  -0.293152   0.022991   0.010709  -0.000673   0.025004
    25  H   -0.016020   0.151325  -0.299237  -0.004812   0.008430  -0.001951
    26  H    0.047822   0.098194  -0.004903   0.027208   0.009390  -0.144607
              13         14         15         16         17         18
     1  C    0.133729   0.287560  -0.323445  -0.725678  -0.078136  -0.080919
     2  C   -0.023903  -0.252164   0.689483  -0.731530  -0.239176  -0.275307
     3  C   -0.373825  -0.113818   0.061002   0.100280  -0.544253  -0.469573
     4  C    0.125285  -0.086576   0.271871  -0.352395   0.253043   0.022871
     5  C    0.435204  -0.049579   0.045816  -0.132768   0.044838  -0.018744
     6  C   -0.050761   0.302903   0.191488   0.466027  -0.219374   0.112155
     7  C    0.021021   0.236157  -1.126552  -0.056149  -0.175010  -0.240963
     8  C    0.021127  -0.283455   0.160964  -0.512333  -0.562489   0.342544
     9  H    0.008882   0.012554   0.001308  -0.044466  -0.135762   0.006938
    10  H    0.000560   0.001294  -0.283470  -0.024277  -0.140563   0.002604
    11  H   -0.214293  -0.001403   0.005350  -0.007736   0.001146  -0.006681
    12  H   -0.268924  -0.008458   0.006253   0.015341  -0.000051   0.013141
    13  H    1.369117   0.003771  -0.002828  -0.016010   0.003009   0.000530
    14  H    0.003771   1.761525  -0.453575   0.071459  -0.085308  -0.022984
    15  H   -0.002828  -0.453575   2.184983  -0.025834   0.049174   0.017037
    16  C   -0.016010   0.071459  -0.025834   6.655975  -0.293073   0.303157
    17  C    0.003009  -0.085308   0.049174  -0.293073   6.506023   0.257089
    18  H    0.000530  -0.022984   0.017037   0.303157   0.257089   2.511061
    19  H    0.000473  -0.019784   0.015991  -0.124435  -0.120821  -0.573535
    20  H    0.004444   0.020157  -0.006408  -0.088979  -0.164695  -0.529703
    21  H    0.000122   0.001183   0.001057  -0.184207  -0.328831  -0.054937
    22  H   -0.000640  -0.012241  -0.000460   0.089701   0.149815   0.026343
    23  H    0.000688   0.017750   0.006360   0.112057   0.111638   0.035645
    24  H   -0.035150  -0.001356   0.000828   0.083465  -0.106909  -0.037506
    25  H    0.021029  -0.005997   0.006439  -0.006915   0.054216   0.010712
    26  H    0.017871  -0.115761  -0.109523  -0.050328   0.003147  -0.034341
              19         20         21         22         23         24
     1  C    0.067336  -0.156445  -0.103597  -0.282156   0.228092  -0.416578
     2  C   -0.108025   0.123068  -0.110561   0.226343  -0.279278   0.268777
     3  C    0.121580   0.074807   0.010740   0.168635  -0.099738   0.640965
     4  C    0.034151   0.064013  -0.017994  -0.050079   0.052702   0.071595
     5  C    0.004713   0.002331  -0.000670   0.004384   0.001965  -0.205593
     6  C    0.018816   0.027370   0.003667   0.025974  -0.060648   0.020029
     7  C    0.076487   0.050641   0.024884  -0.073885   0.134632  -0.074507
     8  C    0.182801   0.202191   0.799356  -0.082416  -0.028349  -0.293152
     9  H   -0.007401   0.011107  -0.061259  -0.026937   0.038393   0.022991
    10  H    0.016862  -0.005543  -0.055028   0.038597  -0.030412   0.010709
    11  H   -0.000510   0.001308  -0.000135  -0.000282   0.000225  -0.000673
    12  H    0.001535  -0.002263  -0.000186   0.000513  -0.000405   0.025004
    13  H    0.000473   0.004444   0.000122  -0.000640   0.000688  -0.035150
    14  H   -0.019784   0.020157   0.001183  -0.012241   0.017750  -0.001356
    15  H    0.015991  -0.006408   0.001057  -0.000460   0.006360   0.000828
    16  C   -0.124435  -0.088979  -0.184207   0.089701   0.112057   0.083465
    17  C   -0.120821  -0.164695  -0.328831   0.149815   0.111638  -0.106909
    18  H   -0.573535  -0.529703  -0.054937   0.026343   0.035645  -0.037506
    19  H    2.157178  -0.443979   0.015068   0.040367  -0.065846   0.024151
    20  H   -0.443979   2.141790   0.016680  -0.059756   0.035921  -0.021457
    21  H    0.015068   0.016680   2.328323  -0.428710  -0.419497  -0.002668
    22  H    0.040367  -0.059756  -0.428710   1.863348  -0.379389   0.021208
    23  H   -0.065846   0.035921  -0.419497  -0.379389   1.864692  -0.013560
    24  H    0.024151  -0.021457  -0.002668   0.021208  -0.013560   1.825053
    25  H   -0.003148   0.019163   0.003894   0.007527  -0.001179  -0.596526
    26  H    0.001566   0.000198   0.000220   0.000513  -0.000061   0.002403
              25         26
     1  C    0.866845  -0.059104
     2  C   -0.262977  -0.151424
     3  C   -1.631149   0.489433
     4  C    0.360326   0.770671
     5  C   -0.018072   0.247938
     6  C    0.377107  -2.779303
     7  C   -0.016020   0.047822
     8  C    0.151325   0.098194
     9  H   -0.299237  -0.004903
    10  H   -0.004812   0.027208
    11  H    0.008430   0.009390
    12  H   -0.001951  -0.144607
    13  H    0.021029   0.017871
    14  H   -0.005997  -0.115761
    15  H    0.006439  -0.109523
    16  C   -0.006915  -0.050328
    17  C    0.054216   0.003147
    18  H    0.010712  -0.034341
    19  H   -0.003148   0.001566
    20  H    0.019163   0.000198
    21  H    0.003894   0.000220
    22  H    0.007527   0.000513
    23  H   -0.001179  -0.000061
    24  H   -0.596526   0.002403
    25  H    2.369824   0.006185
    26  H    0.006185   3.750467
 Mulliken charges:
               1
     1  C    1.299531
     2  C    1.166264
     3  C    0.688498
     4  C   -0.981686
     5  C    0.955702
     6  C    0.943329
     7  C    0.698399
     8  C   -1.146380
     9  H   -0.972845
    10  H   -0.930547
    11  H   -0.170234
    12  H   -0.463036
    13  H   -0.180526
    14  H   -0.203855
    15  H   -0.383310
    16  C    1.479651
    17  C    1.761313
    18  H   -0.316631
    19  H   -0.311591
    20  H   -0.315961
    21  H   -0.436912
    22  H   -0.266319
    23  H   -0.262400
    24  H   -0.211542
    25  H   -0.415039
    26  H   -1.023874
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.326686
     2  C    0.235716
     3  C    0.061917
     4  C   -0.981686
     5  C    0.141906
     6  C   -0.080544
     7  C    0.111234
     8  C   -1.146380
    16  C    0.535468
    17  C    0.795682
 Electronic spatial extent (au):  <R**2>=           1565.6203
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0146    Y=             -0.1081    Z=             -0.1299  Tot=              0.1696
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.4840   YY=            -63.2062   ZZ=            -64.6366
   XY=              0.6095   XZ=             -0.6400   YZ=              0.5195
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3751   YY=              0.9027   ZZ=             -0.5276
   XY=              0.6095   XZ=             -0.6400   YZ=              0.5195
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -4.0195  YYY=              2.0336  ZZZ=             -3.7736  XYY=             -0.9925
  XXY=              0.8127  XXZ=              0.5074  XZZ=              1.8717  YZZ=             -0.6695
  YYZ=              0.4014  XYZ=             -1.6921
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1454.8605 YYYY=           -468.2357 ZZZZ=           -336.3936 XXXY=              0.8638
 XXXZ=             -3.3218 YYYX=             -4.7533 YYYZ=             -4.8526 ZZZX=             -2.1886
 ZZZY=              4.5784 XXYY=           -316.3509 XXZZ=           -291.3268 YYZZ=           -129.4879
 XXYZ=              6.0036 YYXZ=             -0.9960 ZZXY=              4.8303
 N-N= 5.514859429675D+02 E-N=-2.007069274674D+03  KE= 3.883062571952D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 21:35:57 2021, MaxMem= 17179869184 cpu:               3.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.99461372D-03-4.19829553D-02-4.97388206D-02
 Polarizability= 1.26502754D+02 3.99572358D+00 1.15584620D+02
                 4.11182155D-01 2.40014589D+00 9.70184714D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2318   -0.2280        2.2675    2.2666
 2      0.2318    0.2280       -1.2620   -1.2631       -5.9322   -5.9413
 3     -2.2675   -2.2666       15.9899   16.0084        1.2789    1.2631
 4      1.2620    1.2631       -0.0000    0.0000       -2.2669   -2.2666
 5    -10.0577  -10.0671        2.2669    2.2666       -0.2286   -0.2280
 6     -1.2789   -1.2631        0.2286    0.2280        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.6840    0.6840        6.7997    6.7997
 2      3.7893    3.7893       -0.0000    0.0000        6.7997    6.7997
 3      3.7893    3.7893        0.6840    0.6840        0.0000    0.0000
 4      0.6840    0.6840       -3.7893   -3.7893      -17.8239  -17.8239
 5     -6.7997   -6.7997       48.0253   48.0253        3.7893    3.7893
 6    -30.2013  -30.2013        6.7997    6.7997       -0.6840   -0.6840
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0894    0.0000        1.1387    0.9121       -8.9902   -9.0663
 2     -0.9333   -0.9121        5.0265    5.0524       23.8183   23.7653
 3      9.1396    9.0663      -63.9160  -64.0337       -4.8080   -5.0524
 4     -4.9834   -5.0524       -0.0065    0.0000        9.0536    9.0663
 5     40.3306   40.2684       -9.0083   -9.0663        0.8784    0.9121
 6      4.8911    5.0524       -0.9981   -0.9121        0.0459    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0238    0.0000       23.0431   23.1556       -9.8172   -9.9248
 2    -23.2529  -23.1556       39.8742   40.4661       19.0454   18.9899
 3      9.9084    9.9248       11.1306   11.2646      -40.8488  -40.4661
 4    -40.5460  -40.4661       -0.0290    0.0000        9.8455    9.9248
 5    -30.3090  -30.2545      -10.1595   -9.9248       23.5708   23.1556
 6     40.7867   40.4661      -23.1712  -23.1556       -0.2844    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.8326  -18.7670       25.9516   25.9354       18.3848   18.2329
 2    -85.6337  -85.5071       54.1430   54.4073       18.3735   18.2329
 3    -85.5720  -85.5071       25.8598   25.9354       21.6696   21.4808
 4    -28.7244  -28.4720       66.4669   66.7401       28.1028   28.0108
 5      3.3129    3.2478       15.5386   15.3299      -66.2517  -66.7401
 6    -42.9280  -43.3407       -3.2835   -3.2478       29.0679   28.4720
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.2833   -4.6047   -0.0007   -0.0003    0.0002    4.3005
 Low frequencies ---   79.9287  158.5335  180.6431
 Diagonal vibrational polarizability:
        1.8139426       1.5843026       3.3831176
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.9237               158.5328               180.6427
 Red. masses --      2.6809                 1.6030                 1.3070
 Frc consts  --      0.0101                 0.0237                 0.0251
 IR Inten    --      0.0447                 0.4728                 0.3513
 RamAct Fr= 1--      0.8913                 2.1389                 0.4163
  Dep-P Fr= 1--      0.7440                 0.7432                 0.7368
  Dep-U Fr= 1--      0.8532                 0.8527                 0.8485
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0001
 Beta2  Fr= 1--      0.1267                 0.3040                 0.0589
 AlphaG Fr= 1--      0.0009                 0.0054                 0.0021
 Gamma2 Fr= 1--     -0.0553                 0.0766                 0.1924
 Delta2 Fr= 1--      0.0028                -0.0745                 0.0048
 Raman1 Fr= 1--       3.565                  8.556                  1.665
 ROA1   Fr= 1--      -5.220                  4.971                 18.624
 CID1   Fr= 1--      -1.464                  0.581                 11.183
 Raman2 Fr= 1--       1.521                  3.648                  0.707
 ROA2   Fr= 1--      -1.349                  2.435                  4.578
 CID2   Fr= 1--      -0.887                  0.668                  6.480
 Raman3 Fr= 1--       3.042                  7.295                  1.413
 ROA3   Fr= 1--      -5.220                  4.971                 18.624
 CID3   Fr= 1--      -1.716                  0.681                 13.180
 RC180  Fr= 1--       0.706                  0.705                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.07    -0.01  -0.02  -0.00     0.00  -0.02  -0.00
     2   6     0.03   0.02  -0.03     0.00  -0.01  -0.03    -0.01  -0.02  -0.01
     3   6    -0.01   0.05  -0.17    -0.03   0.01  -0.08     0.00  -0.02   0.04
     4   6     0.05  -0.00   0.01     0.00  -0.02   0.02     0.01  -0.00   0.03
     5   6     0.12  -0.06   0.20    -0.02  -0.01  -0.04    -0.02   0.04  -0.01
     6   6     0.04   0.00   0.01     0.04  -0.05   0.10     0.02   0.00   0.02
     7   6    -0.00   0.04  -0.11     0.02  -0.03   0.02    -0.00   0.00  -0.06
     8   6    -0.05  -0.00   0.01    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.08   0.03  -0.04     0.03  -0.03   0.02    -0.01  -0.04  -0.00
    10   1     0.10   0.02   0.03    -0.01  -0.01  -0.04     0.01  -0.04  -0.01
    11   1     0.02  -0.12   0.28    -0.14   0.36  -0.14    -0.18   0.46  -0.11
    12   1     0.13  -0.08   0.27     0.09  -0.09   0.28     0.13  -0.05   0.37
    13   1     0.26  -0.03   0.22    -0.03  -0.26  -0.34    -0.03  -0.26  -0.35
    14   1     0.00   0.16  -0.17     0.06  -0.01  -0.01     0.01   0.09  -0.11
    15   1    -0.06  -0.05  -0.20    -0.04  -0.04   0.02    -0.04  -0.06  -0.13
    16   6    -0.14  -0.04  -0.01     0.02   0.15   0.03    -0.02  -0.08  -0.02
    17   6    -0.04  -0.03   0.11    -0.02  -0.06   0.00     0.02   0.09   0.03
    18   1    -0.14  -0.01  -0.06    -0.02  -0.05  -0.01     0.02   0.09   0.02
    19   1    -0.15  -0.08   0.04    -0.13   0.39  -0.08     0.12  -0.26   0.05
    20   1    -0.19  -0.05  -0.04     0.25   0.25   0.20    -0.21  -0.16  -0.13
    21   1     0.05  -0.01   0.14    -0.01  -0.10  -0.00     0.00  -0.02   0.00
    22   1    -0.08  -0.04   0.11    -0.06  -0.06   0.04     0.13   0.16   0.16
    23   1    -0.07  -0.05   0.18     0.01  -0.06  -0.02    -0.05   0.24  -0.06
    24   1    -0.05  -0.07  -0.32    -0.07  -0.07  -0.18     0.02   0.01   0.07
    25   1    -0.03   0.25  -0.23    -0.03   0.13  -0.13    -0.01  -0.05   0.06
    26   1     0.07  -0.03   0.13     0.07  -0.06   0.18     0.02   0.01   0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    188.9809               205.9619               236.2658
 Red. masses --      1.3768                 1.2108                 2.2714
 Frc consts  --      0.0290                 0.0303                 0.0747
 IR Inten    --      0.0864                 0.0053                 0.2991
 RamAct Fr= 1--      0.1191                 1.2343                 0.6060
  Dep-P Fr= 1--      0.7413                 0.7499                 0.0128
  Dep-U Fr= 1--      0.8514                 0.8571                 0.0252
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0131
 Beta2  Fr= 1--      0.0169                 0.1763                 0.0025
 AlphaG Fr= 1--      0.0017                -0.0004                 0.0154
 Gamma2 Fr= 1--     -0.0689                 0.1277                -0.0064
 Delta2 Fr= 1--     -0.0400                 0.0253                -0.0108
 Raman1 Fr= 1--       0.477                  4.937                  2.424
 ROA1   Fr= 1--      -7.896                 13.068                 -0.960
 CID1   Fr= 1--     -16.570                  2.647                 -0.396
 Raman2 Fr= 1--       0.203                  2.116                  0.031
 ROA2   Fr= 1--      -1.334                  2.862                 -0.067
 CID2   Fr= 1--      -6.577                  1.353                 -2.185
 Raman3 Fr= 1--       0.406                  4.232                  0.061
 ROA3   Fr= 1--      -7.896                 13.068                 -0.960
 CID3   Fr= 1--     -19.461                  3.088                -15.718
 RC180  Fr= 1--       0.703                  0.714                 -0.950
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.01  -0.03  -0.00     0.01  -0.02   0.08
     2   6     0.01   0.04   0.01    -0.00  -0.03  -0.01     0.01  -0.02   0.07
     3   6     0.02   0.01   0.01    -0.03   0.00  -0.07    -0.05   0.04  -0.10
     4   6     0.00  -0.01   0.00    -0.01  -0.01  -0.01    -0.04   0.01  -0.01
     5   6     0.02  -0.06  -0.02    -0.01   0.01  -0.01    -0.04   0.01  -0.01
     6   6    -0.02  -0.01  -0.00     0.02  -0.02   0.04    -0.03   0.00  -0.00
     7   6    -0.02   0.02   0.00     0.03  -0.03   0.04    -0.06   0.02  -0.12
     8   6     0.00   0.04   0.01    -0.00  -0.01  -0.00     0.01  -0.01   0.09
     9   1     0.02   0.04   0.02     0.01  -0.03   0.01     0.06  -0.04   0.11
    10   1    -0.01   0.05  -0.00    -0.01  -0.02  -0.02     0.06  -0.03   0.10
    11   1     0.01   0.02  -0.06     0.07  -0.17   0.04    -0.01  -0.04  -0.00
    12   1     0.01  -0.11   0.06    -0.07   0.07  -0.20    -0.05   0.02  -0.07
    13   1     0.05  -0.13  -0.11    -0.05   0.15   0.16    -0.05   0.04   0.03
    14   1    -0.04   0.03   0.01     0.06  -0.08   0.06    -0.11   0.27  -0.23
    15   1    -0.04   0.01   0.00     0.02   0.00   0.09    -0.11  -0.16  -0.33
    16   6     0.01   0.07   0.01     0.01   0.04   0.01     0.18  -0.06   0.13
    17   6    -0.03  -0.12  -0.02     0.01   0.04   0.01    -0.01   0.02  -0.06
    18   1     0.11   0.55   0.11     0.05   0.25   0.05     0.20  -0.05   0.26
    19   1     0.38  -0.26   0.02     0.17  -0.08  -0.01     0.27  -0.10   0.08
    20   1    -0.46  -0.06  -0.09    -0.19  -0.00  -0.01     0.20  -0.08   0.06
    21   1    -0.03  -0.11  -0.02    -0.08  -0.37  -0.07    -0.11   0.13  -0.07
    22   1    -0.17  -0.17  -0.08     0.16   0.18   0.42     0.03  -0.00  -0.20
    23   1     0.07  -0.24  -0.00    -0.04   0.37  -0.31     0.04  -0.03  -0.06
    24   1     0.05   0.02   0.02    -0.08  -0.06  -0.14    -0.18  -0.09  -0.27
    25   1     0.03  -0.01   0.02    -0.03   0.10  -0.11    -0.00   0.26  -0.21
    26   1    -0.03  -0.02  -0.01     0.04  -0.03   0.08    -0.02   0.00   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    251.6382               270.7465               339.1865
 Red. masses --      1.5944                 1.8233                 2.5521
 Frc consts  --      0.0595                 0.0787                 0.1730
 IR Inten    --      0.9087                 1.7147                 0.1342
 RamAct Fr= 1--      0.6486                 0.5817                 1.9549
  Dep-P Fr= 1--      0.7165                 0.7349                 0.4546
  Dep-U Fr= 1--      0.8348                 0.8472                 0.6250
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0118
 Beta2  Fr= 1--      0.0902                 0.0821                 0.2036
 AlphaG Fr= 1--     -0.0016                -0.0051                 0.0007
 Gamma2 Fr= 1--     -0.0574                -0.4127                -0.1252
 Delta2 Fr= 1--      0.1233                -0.0965                 0.0194
 Raman1 Fr= 1--       2.594                  2.327                  7.820
 ROA1   Fr= 1--      -1.565                -42.711                -11.397
 CID1   Fr= 1--      -0.603                -18.355                 -1.458
 Raman2 Fr= 1--       1.083                  0.986                  2.444
 ROA2   Fr= 1--      -2.364                 -9.134                 -3.160
 CID2   Fr= 1--      -2.183                 -9.266                 -1.293
 Raman3 Fr= 1--       2.166                  1.971                  4.887
 ROA3   Fr= 1--      -1.565                -42.711                -11.397
 CID3   Fr= 1--      -0.722                -21.665                 -2.332
 RC180  Fr= 1--       0.670                  0.694                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.01    -0.00   0.05  -0.01    -0.02  -0.09   0.05
     2   6    -0.02  -0.03  -0.06     0.00   0.04  -0.00    -0.01  -0.08   0.00
     3   6    -0.01  -0.03  -0.01     0.04   0.02   0.07    -0.03   0.03   0.03
     4   6     0.02  -0.03   0.05     0.04   0.00   0.09     0.05   0.09   0.02
     5   6    -0.04   0.06  -0.04     0.02  -0.04  -0.10     0.13  -0.10  -0.07
     6   6     0.06  -0.05   0.13     0.04  -0.01   0.13     0.04   0.09   0.01
     7   6     0.02  -0.03  -0.02    -0.03   0.06  -0.08     0.09   0.01   0.01
     8   6    -0.01   0.01  -0.02    -0.01   0.02  -0.01    -0.07  -0.06   0.06
     9   1     0.00  -0.06  -0.01    -0.02   0.04  -0.01    -0.00  -0.15   0.09
    10   1    -0.03  -0.04  -0.07     0.02   0.03   0.01     0.05  -0.12   0.02
    11   1     0.09  -0.06  -0.05     0.24  -0.13  -0.17     0.27  -0.13  -0.13
    12   1    -0.07   0.16  -0.28    -0.11  -0.04  -0.31    -0.04  -0.28  -0.05
    13   1    -0.20   0.17   0.11    -0.09   0.02  -0.02     0.27  -0.15  -0.14
    14   1     0.10   0.06  -0.10     0.01   0.32  -0.24     0.15  -0.06   0.03
    15   1    -0.10  -0.09  -0.07    -0.19  -0.13  -0.28     0.17   0.05   0.05
    16   6    -0.03   0.03  -0.02    -0.04  -0.05  -0.02    -0.10   0.02   0.07
    17   6     0.02   0.07   0.03    -0.03  -0.07  -0.01    -0.09   0.09  -0.13
    18   1     0.01   0.21  -0.00    -0.07  -0.22  -0.06    -0.10   0.09   0.01
    19   1     0.10  -0.09  -0.02    -0.17   0.03   0.02    -0.10   0.02   0.06
    20   1    -0.21  -0.01  -0.05     0.12  -0.02  -0.03    -0.18   0.02   0.13
    21   1     0.14   0.47   0.12    -0.09  -0.35  -0.07    -0.29   0.26  -0.15
    22   1    -0.02  -0.02  -0.32    -0.07  -0.02   0.23     0.07   0.08  -0.32
    23   1    -0.05  -0.16   0.36     0.03   0.04  -0.22    -0.07   0.09  -0.16
    24   1    -0.02  -0.06  -0.05     0.11   0.05   0.11    -0.12   0.02   0.02
    25   1    -0.03   0.03  -0.02    -0.00  -0.04   0.12    -0.07   0.08   0.03
    26   1     0.09  -0.06   0.18     0.04  -0.02   0.15     0.06   0.11   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    351.7100               408.5685               430.4584
 Red. masses --      2.5746                 2.8090                 2.0125
 Frc consts  --      0.1876                 0.2763                 0.2197
 IR Inten    --      0.1304                 1.1043                 2.4950
 RamAct Fr= 1--      1.1511                 2.2966                 1.1769
  Dep-P Fr= 1--      0.1813                 0.4727                 0.6739
  Dep-U Fr= 1--      0.3069                 0.6419                 0.8052
 Alpha2 Fr= 1--      0.0164                 0.0128                 0.0016
 Beta2  Fr= 1--      0.0589                 0.2457                 0.1579
 AlphaG Fr= 1--      0.0119                -0.0039                 0.0013
 Gamma2 Fr= 1--      0.1302                 0.0043                -0.2638
 Delta2 Fr= 1--     -0.1587                 0.1043                -0.1619
 Raman1 Fr= 1--       4.604                  9.186                  4.708
 ROA1   Fr= 1--       7.420                  3.752                -30.503
 CID1   Fr= 1--       1.612                  0.408                 -6.479
 Raman2 Fr= 1--       0.707                  2.949                  1.895
 ROA2   Fr= 1--       4.393                 -0.731                 -5.036
 CID2   Fr= 1--       6.219                 -0.248                 -2.657
 Raman3 Fr= 1--       1.413                  5.897                  3.791
 ROA3   Fr= 1--       7.420                  3.752                -30.503
 CID3   Fr= 1--       5.251                  0.636                 -8.047
 RC180  Fr= 1--      -0.386                  0.284                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03     0.07   0.00   0.07     0.01  -0.02   0.04
     2   6    -0.02  -0.04  -0.07     0.10  -0.02   0.06    -0.04   0.01  -0.06
     3   6    -0.09   0.10   0.03    -0.02   0.09   0.02     0.01  -0.01  -0.00
     4   6    -0.08   0.11   0.05    -0.10   0.01   0.07     0.10  -0.06   0.22
     5   6     0.00  -0.14  -0.04    -0.11  -0.05   0.03     0.02   0.02  -0.01
     6   6    -0.06   0.11   0.03    -0.07   0.01   0.01    -0.04   0.03  -0.11
     7   6     0.01  -0.00  -0.01    -0.01  -0.06  -0.02    -0.01   0.01   0.01
     8   6     0.03  -0.04  -0.07     0.16  -0.02   0.02    -0.00   0.06  -0.00
     9   1    -0.13  -0.05  -0.06     0.00  -0.00   0.04     0.03  -0.06   0.06
    10   1    -0.06  -0.06  -0.12     0.05   0.01   0.04    -0.08  -0.01  -0.10
    11   1     0.16  -0.18  -0.10    -0.08  -0.03   0.00     0.18   0.14  -0.15
    12   1    -0.20  -0.33  -0.02    -0.15  -0.07   0.02    -0.00   0.07  -0.12
    13   1     0.16  -0.18  -0.11    -0.12  -0.06   0.01    -0.23  -0.04  -0.06
    14   1     0.08  -0.05  -0.02    -0.08   0.07  -0.06    -0.02  -0.19   0.12
    15   1     0.06   0.03   0.01     0.00  -0.14  -0.12     0.08   0.15   0.16
    16   6     0.12  -0.01  -0.06    -0.14   0.04  -0.06     0.00  -0.02  -0.01
    17   6     0.09  -0.02   0.15     0.18  -0.01  -0.10    -0.02  -0.01   0.01
    18   1     0.14   0.00   0.04    -0.19   0.10  -0.41    -0.01  -0.10   0.00
    19   1     0.19  -0.01  -0.12    -0.33   0.05   0.10    -0.03  -0.07   0.05
    20   1     0.14  -0.01  -0.07    -0.31   0.04   0.06     0.05  -0.04  -0.12
    21   1     0.34   0.01   0.21     0.05   0.02  -0.12    -0.00  -0.06   0.01
    22   1     0.05  -0.01   0.20     0.23  -0.02  -0.16    -0.10  -0.02   0.04
    23   1    -0.07  -0.02   0.32     0.24  -0.01  -0.16     0.03  -0.05  -0.00
    24   1    -0.15   0.09   0.01    -0.09  -0.03  -0.13    -0.04  -0.29  -0.37
    25   1    -0.14   0.14   0.03     0.03   0.25  -0.07    -0.10   0.43  -0.14
    26   1    -0.02   0.16   0.03    -0.03   0.09  -0.04    -0.13   0.07  -0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    465.2975               509.7347               580.4267
 Red. masses --      2.3762                 4.0923                 4.0635
 Frc consts  --      0.3031                 0.6265                 0.8066
 IR Inten    --      0.8969                 0.5477                 0.3997
 RamAct Fr= 1--      0.1699                 2.0884                 3.5096
  Dep-P Fr= 1--      0.7026                 0.6680                 0.5104
  Dep-U Fr= 1--      0.8254                 0.8009                 0.6759
 Alpha2 Fr= 1--      0.0001                 0.0030                 0.0165
 Beta2  Fr= 1--      0.0234                 0.2788                 0.3953
 AlphaG Fr= 1--      0.0001                -0.0015                -0.0137
 Gamma2 Fr= 1--      0.0116                 0.1445                -0.4199
 Delta2 Fr= 1--      0.0930                 0.0175                 0.1228
 Raman1 Fr= 1--       0.680                  8.354                 14.038
 ROA1   Fr= 1--       4.086                 14.436                -36.386
 CID1   Fr= 1--       6.012                  1.728                 -2.592
 Raman2 Fr= 1--       0.280                  3.345                  4.744
 ROA2   Fr= 1--      -0.466                  3.329                -11.061
 CID2   Fr= 1--      -1.662                  0.995                 -2.332
 Raman3 Fr= 1--       0.561                  6.691                  9.488
 ROA3   Fr= 1--       4.086                 14.436                -36.386
 CID3   Fr= 1--       7.285                  2.158                 -3.835
 RC180  Fr= 1--       0.651                  0.602                  0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.07   0.14    -0.03   0.13  -0.03    -0.20   0.03   0.16
     2   6    -0.06   0.01  -0.15     0.21   0.08  -0.10     0.01   0.08   0.12
     3   6    -0.01   0.01  -0.01    -0.03   0.06   0.03    -0.18  -0.19  -0.00
     4   6    -0.04   0.05  -0.12    -0.12  -0.06   0.07     0.01  -0.06  -0.04
     5   6     0.00  -0.00   0.00    -0.20  -0.13   0.03     0.00  -0.05  -0.01
     6   6     0.01  -0.00   0.07     0.12  -0.08  -0.07     0.17  -0.05  -0.08
     7   6    -0.00  -0.01   0.00     0.21  -0.07  -0.06     0.11   0.21   0.03
     8   6     0.05   0.20   0.05    -0.06   0.09   0.04     0.04   0.04  -0.03
     9   1     0.13  -0.21   0.24     0.00  -0.06   0.07    -0.27   0.24   0.03
    10   1    -0.17  -0.04  -0.28     0.33   0.05  -0.01    -0.12  -0.15  -0.15
    11   1    -0.08  -0.06   0.07    -0.13  -0.12  -0.01     0.03  -0.08  -0.02
    12   1     0.01  -0.03   0.07    -0.26  -0.16   0.01    -0.05  -0.11   0.01
    13   1     0.14   0.02   0.02    -0.21  -0.14   0.02     0.09  -0.06  -0.04
    14   1     0.12  -0.15   0.03     0.18  -0.22   0.03    -0.04   0.38  -0.00
    15   1    -0.05   0.09   0.14     0.16   0.05   0.10     0.04   0.07  -0.13
    16   6    -0.01  -0.05  -0.01     0.01  -0.03   0.06     0.00   0.01  -0.08
    17   6     0.01  -0.02  -0.01    -0.12   0.05   0.01     0.08  -0.00   0.00
    18   1    -0.05  -0.23  -0.06     0.02  -0.14   0.19    -0.02  -0.01  -0.18
    19   1    -0.14  -0.21   0.27     0.04  -0.09   0.10    -0.07  -0.02   0.01
    20   1     0.04  -0.13  -0.31     0.12  -0.05  -0.12    -0.03  -0.01  -0.13
    21   1    -0.03  -0.12  -0.03    -0.17   0.08   0.00     0.16   0.00   0.02
    22   1    -0.21  -0.07   0.02    -0.11   0.05  -0.03     0.06   0.00   0.04
    23   1     0.20  -0.13  -0.08    -0.09   0.05  -0.01     0.02   0.00   0.06
    24   1    -0.18   0.02   0.03     0.16   0.09   0.04    -0.29  -0.28  -0.12
    25   1     0.13   0.00  -0.07    -0.02  -0.04   0.06    -0.10  -0.01  -0.12
    26   1     0.06  -0.04   0.22     0.25   0.09  -0.09     0.12  -0.10  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    686.5165               724.3458               772.3555
 Red. masses --      3.1662                 4.1366                 2.8073
 Frc consts  --      0.8792                 1.2787                 0.9867
 IR Inten    --      0.1763                 1.4356                 2.2058
 RamAct Fr= 1--      9.9652                15.0981                 7.0527
  Dep-P Fr= 1--      0.1673                 0.0815                 0.4882
  Dep-U Fr= 1--      0.2866                 0.1506                 0.6561
 Alpha2 Fr= 1--      0.1474                 0.2765                 0.0368
 Beta2  Fr= 1--      0.4760                 0.3791                 0.7712
 AlphaG Fr= 1--      0.0676                 0.1565                -0.1558
 Gamma2 Fr= 1--     -0.7949                -0.8772                 1.4371
 Delta2 Fr= 1--     -0.3541                -0.9446                 1.2831
 Raman1 Fr= 1--      39.861                 60.392                 28.211
 ROA1   Fr= 1--     -87.643               -114.437                179.018
 CID1   Fr= 1--      -2.199                 -1.895                  6.346
 Raman2 Fr= 1--       5.712                  4.549                  9.255
 ROA2   Fr= 1--     -16.244                -13.495                 24.225
 CID2   Fr= 1--      -2.844                 -2.967                  2.618
 Raman3 Fr= 1--      11.423                  9.098                 18.509
 ROA3   Fr= 1--     -87.643               -114.437                179.018
 CID3   Fr= 1--      -7.672                -12.579                  9.672
 RC180  Fr= 1--      -0.427                 -0.699                  0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.13  -0.10     0.17  -0.15  -0.04    -0.01   0.07   0.20
     2   6    -0.10  -0.01  -0.14    -0.04   0.04  -0.05     0.02   0.10  -0.13
     3   6    -0.05  -0.01  -0.04     0.11  -0.12  -0.07     0.05   0.13   0.08
     4   6     0.02  -0.02   0.02    -0.02   0.02   0.02     0.00  -0.05  -0.05
     5   6     0.02   0.00  -0.00    -0.21  -0.09   0.05     0.03   0.00  -0.01
     6   6     0.02  -0.01  -0.01    -0.02   0.11   0.04     0.01  -0.08  -0.01
     7   6    -0.02   0.05  -0.05     0.03   0.33   0.02    -0.05   0.05  -0.03
     8   6     0.04  -0.03   0.06    -0.03  -0.09  -0.02    -0.04  -0.19  -0.04
     9   1    -0.14   0.18  -0.14     0.27  -0.13  -0.01    -0.11  -0.10   0.24
    10   1    -0.14  -0.06  -0.21     0.09  -0.03   0.01     0.00  -0.04  -0.24
    11   1     0.08   0.03  -0.05    -0.19  -0.07   0.03    -0.07   0.03   0.03
    12   1    -0.00   0.01  -0.05    -0.25  -0.10   0.02     0.15   0.11  -0.02
    13   1    -0.06  -0.02  -0.01    -0.26  -0.10   0.05    -0.02   0.04   0.03
    14   1     0.09  -0.20   0.03     0.13   0.14   0.08    -0.09  -0.13   0.07
    15   1    -0.00   0.21   0.15     0.09   0.43   0.13    -0.14   0.20   0.17
    16   6    -0.05  -0.04   0.25    -0.01  -0.02   0.02    -0.00  -0.04  -0.03
    17   6     0.20  -0.04  -0.03     0.00  -0.02  -0.01    -0.02  -0.04  -0.01
    18   1    -0.06  -0.03   0.20     0.01   0.06   0.05     0.01   0.04  -0.03
    19   1    -0.10  -0.04   0.30     0.05   0.06  -0.12     0.04   0.07  -0.18
    20   1    -0.09  -0.04   0.30    -0.01   0.02   0.17    -0.02   0.02   0.16
    21   1     0.10  -0.00  -0.05    -0.03   0.01  -0.01     0.03   0.13   0.03
    22   1     0.28  -0.03  -0.10     0.07  -0.01  -0.03     0.33   0.05  -0.02
    23   1     0.26  -0.03  -0.09    -0.03   0.02  -0.02    -0.31   0.16   0.08
    24   1     0.15   0.09   0.07     0.10  -0.10  -0.03    -0.03   0.02  -0.06
    25   1    -0.12  -0.19   0.06     0.14  -0.15  -0.06     0.25   0.26  -0.07
    26   1     0.04  -0.07   0.12    -0.05  -0.02   0.20     0.03  -0.18   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    805.5720               835.8320               917.7812
 Red. masses --      1.5377                 1.8369                 2.9519
 Frc consts  --      0.5880                 0.7561                 1.4650
 IR Inten    --     12.4185                 0.2313                 2.0172
 RamAct Fr= 1--      2.2553                 5.9890                 0.7015
  Dep-P Fr= 1--      0.5283                 0.0707                 0.4802
  Dep-U Fr= 1--      0.6913                 0.1320                 0.6488
 Alpha2 Fr= 1--      0.0097                 0.1126                 0.0038
 Beta2  Fr= 1--      0.2599                 0.1318                 0.0759
 AlphaG Fr= 1--      0.0799                -0.2518                 0.0076
 Gamma2 Fr= 1--      3.7572                -1.6715                -0.8210
 Delta2 Fr= 1--      1.8849                -1.0567                -0.5567
 Raman1 Fr= 1--       9.021                 23.956                  2.806
 ROA1   Fr= 1--     421.008               -194.281                -96.629
 CID1   Fr= 1--      46.669                 -8.110                -34.438
 Raman2 Fr= 1--       3.118                  1.581                  0.910
 ROA2   Fr= 1--      75.093                -31.663                -15.250
 CID2   Fr= 1--      24.082                -20.023                -16.753
 Raman3 Fr= 1--       6.236                  3.163                  1.821
 ROA3   Fr= 1--     421.008               -194.281                -96.629
 CID3   Fr= 1--      67.508                -61.429                -53.076
 RC180  Fr= 1--       0.383                 -0.736                  0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.05  -0.01    -0.01   0.06   0.05     0.04  -0.13  -0.08
     2   6     0.11   0.05   0.03    -0.13  -0.10   0.08    -0.11  -0.02   0.06
     3   6    -0.10  -0.03  -0.03     0.08   0.05  -0.02    -0.04   0.21   0.10
     4   6     0.01  -0.01   0.04     0.01   0.00   0.01     0.02  -0.04  -0.03
     5   6     0.06   0.02   0.01    -0.04  -0.03   0.03    -0.02  -0.05  -0.01
     6   6    -0.05   0.00  -0.05     0.03   0.03  -0.08     0.18  -0.12  -0.08
     7   6    -0.06   0.02  -0.05     0.03  -0.03  -0.06    -0.04   0.08   0.01
     8   6    -0.00   0.02   0.01     0.03   0.00   0.03    -0.03   0.04  -0.02
     9   1     0.07  -0.20   0.09    -0.07   0.36  -0.12    -0.12  -0.27  -0.10
    10   1     0.22   0.10   0.16    -0.23  -0.22  -0.08     0.13   0.09   0.36
    11   1     0.23   0.11  -0.12     0.05   0.06  -0.06    -0.14  -0.01   0.04
    12   1    -0.01   0.03  -0.12    -0.07   0.01  -0.08     0.12   0.08  -0.01
    13   1    -0.12  -0.05  -0.05    -0.21  -0.07  -0.00    -0.08   0.00   0.05
    14   1    -0.20  -0.21   0.12     0.00  -0.14   0.01    -0.12   0.01   0.08
    15   1     0.08   0.19   0.13     0.27   0.03  -0.04    -0.12   0.11   0.07
    16   6     0.01   0.01  -0.02     0.02   0.00  -0.06    -0.02  -0.02   0.02
    17   6     0.01   0.00  -0.00    -0.04   0.02   0.02     0.06   0.04  -0.02
    18   1     0.00  -0.01  -0.05     0.02   0.04  -0.11     0.00   0.05   0.10
    19   1    -0.01  -0.01   0.01     0.00   0.03  -0.06     0.04   0.05  -0.10
    20   1     0.00  -0.00  -0.06    -0.01   0.01  -0.01     0.00   0.02   0.11
    21   1     0.01   0.00  -0.00    -0.08  -0.02   0.01     0.15  -0.15  -0.03
    22   1     0.01  -0.00  -0.00    -0.12  -0.01   0.01    -0.25  -0.03   0.05
    23   1     0.01   0.00  -0.00     0.03  -0.03  -0.01     0.23  -0.14  -0.01
    24   1    -0.10   0.10   0.15     0.09   0.08   0.01    -0.21   0.16   0.06
    25   1    -0.12  -0.22   0.06     0.20  -0.01  -0.05    -0.15   0.27   0.12
    26   1     0.15  -0.19   0.61     0.28  -0.10   0.56     0.15  -0.18  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    937.4637               953.4522               962.3729
 Red. masses --      1.8776                 1.7582                 1.7249
 Frc consts  --      0.9722                 0.9417                 0.9412
 IR Inten    --      1.2735                 3.2078                 3.5145
 RamAct Fr= 1--      0.5783                 2.6886                 5.4725
  Dep-P Fr= 1--      0.6254                 0.5359                 0.7492
  Dep-U Fr= 1--      0.7695                 0.6979                 0.8567
 Alpha2 Fr= 1--      0.0013                 0.0111                 0.0001
 Beta2  Fr= 1--      0.0742                 0.3127                 0.7813
 AlphaG Fr= 1--      0.0151                 0.0692                 0.0041
 Gamma2 Fr= 1--      0.3092                -0.5104                 0.9107
 Delta2 Fr= 1--      0.1008                -0.5733                 0.3947
 Raman1 Fr= 1--       2.313                 10.754                 21.890
 ROA1   Fr= 1--      32.911                -67.347                100.055
 CID1   Fr= 1--      14.228                 -6.262                  4.571
 Raman2 Fr= 1--       0.890                  3.753                  9.376
 ROA2   Fr= 1--       6.615                 -7.664                 18.699
 CID2   Fr= 1--       7.433                 -2.042                  1.994
 Raman3 Fr= 1--       1.780                  7.505                 18.752
 ROA3   Fr= 1--      32.911                -67.347                100.055
 CID3   Fr= 1--      18.489                 -8.974                  5.336
 RC180  Fr= 1--       0.539                  0.396                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01  -0.00    -0.03  -0.03  -0.06     0.03  -0.06   0.02
     2   6     0.04  -0.09  -0.01     0.10  -0.01   0.01     0.01   0.05  -0.01
     3   6    -0.02   0.12  -0.07     0.04  -0.03   0.13     0.01   0.04  -0.04
     4   6     0.05  -0.07  -0.00    -0.00  -0.02  -0.05     0.01   0.01   0.02
     5   6     0.03  -0.07  -0.01     0.02  -0.02  -0.04    -0.01  -0.01   0.04
     6   6    -0.10  -0.01   0.02    -0.12   0.02   0.00     0.01   0.02  -0.10
     7   6     0.06   0.09   0.05     0.05   0.02  -0.00     0.02  -0.05   0.13
     8   6     0.03   0.02   0.04     0.01   0.04  -0.06    -0.03   0.01  -0.08
     9   1    -0.00  -0.18   0.11    -0.27   0.15  -0.26     0.08  -0.03   0.03
    10   1     0.00  -0.20  -0.12     0.03  -0.12  -0.13    -0.31   0.08  -0.29
    11   1    -0.18   0.10   0.02    -0.23  -0.02   0.09     0.12   0.07  -0.07
    12   1     0.35   0.26  -0.09     0.22   0.13   0.01    -0.08  -0.02  -0.06
    13   1    -0.32   0.01   0.12     0.00   0.07   0.07    -0.14  -0.07  -0.02
    14   1     0.14   0.19  -0.03     0.04   0.04  -0.01    -0.17   0.39  -0.03
    15   1     0.13  -0.02  -0.10     0.16  -0.01  -0.06    -0.08  -0.34  -0.22
    16   6     0.03   0.03  -0.03    -0.04  -0.00   0.07    -0.05   0.01   0.08
    17   6    -0.02  -0.01   0.02    -0.01   0.03  -0.02     0.01  -0.03  -0.06
    18   1    -0.00  -0.04  -0.13    -0.02  -0.04   0.19    -0.04  -0.08   0.22
    19   1    -0.06  -0.06   0.15     0.02  -0.02   0.05     0.02  -0.06   0.09
    20   1    -0.00  -0.02  -0.17     0.04  -0.01   0.00     0.04  -0.02  -0.07
    21   1    -0.10   0.06   0.01     0.08  -0.05  -0.01     0.27   0.02   0.01
    22   1     0.07   0.00  -0.03    -0.15   0.01   0.04     0.08   0.03   0.08
    23   1    -0.02   0.03  -0.01     0.01  -0.04   0.03    -0.24   0.06   0.10
    24   1     0.11   0.28   0.15    -0.18  -0.29  -0.20     0.01   0.14   0.09
    25   1    -0.10  -0.19   0.09     0.03   0.38  -0.04     0.03  -0.11   0.01
    26   1    -0.28  -0.14  -0.13    -0.03  -0.15   0.41     0.14  -0.02   0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4490               996.2290              1017.0045
 Red. masses --      1.3716                 1.5196                 1.7075
 Frc consts  --      0.7689                 0.8886                 1.0406
 IR Inten    --      3.1744                 3.8415                 2.2438
 RamAct Fr= 1--      1.4504                 1.3281                 4.4549
  Dep-P Fr= 1--      0.7432                 0.5581                 0.5438
  Dep-U Fr= 1--      0.8527                 0.7164                 0.7045
 Alpha2 Fr= 1--      0.0002                 0.0048                 0.0176
 Beta2  Fr= 1--      0.2061                 0.1586                 0.5231
 AlphaG Fr= 1--     -0.0020                 0.0181                 0.1135
 Gamma2 Fr= 1--      0.3636                 0.2693                -4.0309
 Delta2 Fr= 1--     -0.0145                 0.3096                -1.3112
 Raman1 Fr= 1--       5.802                  5.312                 17.820
 ROA1   Fr= 1--      34.441                 35.762               -428.924
 CID1   Fr= 1--       5.936                  6.732                -24.070
 Raman2 Fr= 1--       2.474                  1.903                  6.277
 ROA2   Fr= 1--       8.841                  3.987                -86.251
 CID2   Fr= 1--       3.574                  2.095                -13.740
 Raman3 Fr= 1--       4.947                  3.806                 12.555
 ROA3   Fr= 1--      34.441                 35.762               -428.924
 CID3   Fr= 1--       6.962                  9.397                -34.165
 RC180  Fr= 1--       0.705                  0.433                  0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.08   0.07   0.03    -0.01   0.05  -0.08
     2   6    -0.00   0.00   0.01    -0.07  -0.02   0.02    -0.04  -0.03  -0.08
     3   6     0.01   0.00   0.01     0.05  -0.03   0.00    -0.00  -0.02   0.07
     4   6     0.00   0.00  -0.00     0.02   0.00  -0.01    -0.00  -0.01   0.01
     5   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.02   0.04  -0.02
     6   6    -0.01   0.01  -0.01    -0.02   0.05   0.00     0.00   0.00  -0.10
     7   6     0.01  -0.01   0.01     0.03  -0.03  -0.01    -0.00   0.02   0.11
     8   6    -0.07   0.01   0.03    -0.08   0.02  -0.00     0.05  -0.02   0.05
     9   1     0.01   0.02   0.01     0.14  -0.38   0.35     0.08  -0.29   0.11
    10   1    -0.01  -0.02  -0.02     0.24   0.16   0.43     0.05   0.14   0.11
    11   1    -0.01   0.00   0.00    -0.11  -0.02   0.04    -0.02  -0.10   0.04
    12   1     0.01   0.01  -0.00     0.06   0.04   0.01    -0.11  -0.10   0.08
    13   1    -0.01   0.00   0.00    -0.03   0.02   0.04     0.23   0.04  -0.04
    14   1    -0.01   0.03  -0.01     0.17  -0.02  -0.07    -0.00   0.28  -0.03
    15   1     0.01  -0.04  -0.03     0.14  -0.05  -0.07    -0.12  -0.18  -0.12
    16   6    -0.09   0.03  -0.07    -0.01   0.02  -0.01     0.07   0.01  -0.02
    17   6     0.09  -0.03   0.06     0.07  -0.01  -0.08    -0.03  -0.03   0.07
    18   1    -0.00  -0.10   0.50    -0.01  -0.03   0.06     0.02   0.01  -0.29
    19   1     0.26  -0.04  -0.30     0.01  -0.02   0.01    -0.11  -0.02   0.17
    20   1     0.28   0.04  -0.30     0.02   0.00  -0.08    -0.09  -0.02  -0.01
    21   1    -0.35   0.08  -0.02     0.42  -0.06  -0.01    -0.34   0.11   0.02
    22   1     0.28  -0.05  -0.21     0.02   0.02   0.12     0.18  -0.01  -0.12
    23   1     0.28   0.02  -0.20    -0.09  -0.02   0.12     0.05   0.05  -0.10
    24   1    -0.01  -0.01  -0.01     0.16  -0.09  -0.09     0.07  -0.15  -0.13
    25   1     0.02   0.02  -0.01     0.11   0.04  -0.05    -0.09   0.18   0.02
    26   1     0.02  -0.00   0.05     0.03   0.02   0.13     0.10  -0.18   0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1034.6888              1056.4474              1074.6046
 Red. masses --      1.5421                 1.5889                 1.4831
 Frc consts  --      0.9727                 1.0448                 1.0090
 IR Inten    --      0.2628                 1.8168                 0.2871
 RamAct Fr= 1--      1.3538                 3.9604                 1.5961
  Dep-P Fr= 1--      0.4331                 0.2276                 0.5999
  Dep-U Fr= 1--      0.6045                 0.3708                 0.7499
 Alpha2 Fr= 1--      0.0089                 0.0499                 0.0044
 Beta2  Fr= 1--      0.1364                 0.2448                 0.1995
 AlphaG Fr= 1--      0.0098                 0.0124                -0.0557
 Gamma2 Fr= 1--     -0.7031                -0.6766                 2.1619
 Delta2 Fr= 1--     -0.3626                -0.3682                 0.9305
 Raman1 Fr= 1--       5.415                 15.842                  6.384
 ROA1   Fr= 1--     -79.101                -76.736                237.324
 CID1   Fr= 1--     -14.607                 -4.844                 37.172
 Raman2 Fr= 1--       1.637                  2.937                  2.394
 ROA2   Fr= 1--     -13.974                -13.292                 44.442
 CID2   Fr= 1--      -8.539                 -4.525                 18.565
 Raman3 Fr= 1--       3.273                  5.875                  4.788
 ROA3   Fr= 1--     -79.101                -76.736                237.324
 CID3   Fr= 1--     -24.166                -13.062                 49.570
 RC180  Fr= 1--       0.209                 -0.258                  0.500
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.05    -0.04   0.00   0.00    -0.00  -0.01   0.02
     2   6    -0.02   0.04  -0.08     0.05  -0.08   0.00     0.02   0.01   0.03
     3   6    -0.05  -0.02  -0.02     0.05   0.05  -0.02    -0.01   0.02  -0.06
     4   6    -0.01  -0.01   0.00    -0.05  -0.04  -0.00     0.04  -0.03   0.12
     5   6     0.04  -0.02   0.01    -0.00   0.12   0.04    -0.04   0.03  -0.13
     6   6    -0.05   0.02  -0.03    -0.05  -0.08  -0.00    -0.00   0.01  -0.02
     7   6     0.06  -0.03   0.06     0.02   0.07   0.02    -0.01  -0.00  -0.02
     8   6     0.00  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00   0.00
     9   1     0.01  -0.01   0.07    -0.10  -0.17   0.05     0.11  -0.04   0.10
    10   1     0.07   0.10   0.05     0.08  -0.27  -0.10    -0.16  -0.10  -0.21
    11   1     0.04   0.09  -0.04     0.39  -0.03  -0.09    -0.41  -0.30   0.22
    12   1     0.11   0.09  -0.07    -0.40  -0.25   0.05     0.10  -0.05   0.25
    13   1    -0.15  -0.03   0.02     0.28  -0.05  -0.18     0.47   0.23   0.07
    14   1     0.15   0.17  -0.09     0.01   0.06   0.02    -0.08  -0.04   0.03
    15   1    -0.03  -0.17  -0.10     0.04   0.03  -0.02     0.03   0.03   0.02
    16   6    -0.01  -0.11  -0.02    -0.03  -0.01  -0.00    -0.02  -0.03  -0.01
    17   6     0.02   0.08   0.03     0.01   0.05  -0.02     0.01   0.02  -0.01
    18   1     0.05   0.20   0.00    -0.00   0.01   0.11     0.01   0.05   0.04
    19   1     0.07   0.19  -0.40     0.05   0.01  -0.09     0.03   0.05  -0.13
    20   1    -0.04   0.04   0.47     0.04   0.01   0.01     0.01   0.01   0.10
    21   1    -0.07  -0.15  -0.03     0.13  -0.09  -0.02     0.06  -0.04  -0.01
    22   1    -0.34  -0.03  -0.01    -0.21   0.00   0.05    -0.10   0.00   0.03
    23   1     0.34  -0.16  -0.06     0.10  -0.09   0.03     0.04  -0.04   0.01
    24   1    -0.06   0.02   0.05     0.21   0.03  -0.06     0.18   0.10   0.04
    25   1     0.02  -0.08  -0.02     0.20  -0.02  -0.06    -0.16  -0.13   0.08
    26   1    -0.02   0.01   0.05    -0.21  -0.25  -0.03     0.08  -0.01   0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1101.9875              1126.9741              1167.7442
 Red. masses --      1.6220                 1.5320                 2.1875
 Frc consts  --      1.1605                 1.1464                 1.7575
 IR Inten    --      1.2348                 0.9867                 1.9822
 RamAct Fr= 1--      3.1287                 2.8700                 3.7111
  Dep-P Fr= 1--      0.5591                 0.6354                 0.7385
  Dep-U Fr= 1--      0.7172                 0.7771                 0.8496
 Alpha2 Fr= 1--      0.0114                 0.0060                 0.0007
 Beta2  Fr= 1--      0.3740                 0.3717                 0.5255
 AlphaG Fr= 1--      0.0158                 0.0096                 0.0037
 Gamma2 Fr= 1--      0.0187                -0.0430                -3.6383
 Delta2 Fr= 1--      0.3106                -0.3327                -1.2348
 Raman1 Fr= 1--      12.515                 11.480                 14.844
 ROA1   Fr= 1--      11.730                -14.773               -388.785
 CID1   Fr= 1--       0.937                 -1.287                -26.191
 Raman2 Fr= 1--       4.488                  4.460                  6.306
 ROA2   Fr= 1--      -2.036                  1.630                -77.440
 CID2   Fr= 1--      -0.454                  0.365                -12.281
 Raman3 Fr= 1--       8.975                  8.921                 12.611
 ROA3   Fr= 1--      11.730                -14.773               -388.785
 CID3   Fr= 1--       1.307                 -1.656                -30.828
 RC180  Fr= 1--       0.434                  0.554                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07     0.07   0.05  -0.06    -0.09  -0.07   0.03
     2   6    -0.08   0.01  -0.06    -0.03   0.01   0.07     0.04   0.00  -0.02
     3   6    -0.06   0.02  -0.01    -0.05   0.00   0.05     0.04   0.03  -0.04
     4   6    -0.03  -0.05   0.06    -0.04  -0.03  -0.02     0.18   0.02  -0.03
     5   6     0.02   0.05  -0.03     0.02   0.02   0.01    -0.09   0.00   0.02
     6   6    -0.06  -0.04  -0.03    -0.02  -0.05   0.01    -0.00   0.04   0.00
     7   6     0.07   0.01   0.01     0.05   0.02  -0.04    -0.04  -0.04   0.01
     8   6    -0.00  -0.00   0.00     0.02   0.08   0.02     0.03   0.16   0.00
     9   1    -0.11   0.49  -0.27     0.39  -0.10   0.17    -0.44   0.01  -0.17
    10   1     0.31   0.14   0.39    -0.35   0.08  -0.17     0.18   0.11   0.17
    11   1     0.01  -0.08   0.03     0.10   0.02  -0.03    -0.06  -0.08   0.04
    12   1    -0.00  -0.04   0.07    -0.03  -0.01  -0.02    -0.24  -0.16   0.06
    13   1     0.22   0.07  -0.03     0.03  -0.02  -0.04    -0.02  -0.03  -0.02
    14   1     0.29   0.05  -0.10     0.20  -0.08  -0.06     0.05  -0.04  -0.03
    15   1     0.05  -0.04  -0.06     0.33   0.03  -0.08    -0.02  -0.04   0.01
    16   6    -0.01   0.03   0.00    -0.02  -0.06  -0.01    -0.00  -0.08  -0.00
    17   6    -0.01  -0.03  -0.03    -0.02  -0.07  -0.02    -0.01  -0.08   0.01
    18   1    -0.02  -0.07   0.05     0.02   0.12   0.07     0.04   0.19  -0.02
    19   1     0.00  -0.06   0.09     0.05   0.10  -0.22    -0.01   0.15  -0.22
    20   1     0.04  -0.01  -0.16     0.02   0.03   0.22    -0.03   0.02   0.33
    21   1     0.08   0.03   0.01     0.06   0.13   0.03    -0.07   0.18   0.04
    22   1     0.10   0.01   0.03     0.24   0.02   0.04     0.31   0.01  -0.03
    23   1    -0.16   0.05   0.05    -0.25   0.12   0.03    -0.20   0.15  -0.03
    24   1    -0.10   0.09   0.09    -0.16  -0.04   0.01    -0.08   0.08   0.06
    25   1    -0.01  -0.10   0.02    -0.21   0.11   0.07     0.08  -0.04  -0.03
    26   1    -0.12  -0.18   0.06    -0.14  -0.17  -0.02    -0.16  -0.15   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1175.2664              1181.0463              1228.3775
 Red. masses --      1.8258                 2.0225                 1.9037
 Frc consts  --      1.4858                 1.6622                 1.6924
 IR Inten    --      4.6270                 1.4429                 2.3664
 RamAct Fr= 1--      2.5178                 3.7249                 4.1196
  Dep-P Fr= 1--      0.6020                 0.6128                 0.4302
  Dep-U Fr= 1--      0.7516                 0.7599                 0.6016
 Alpha2 Fr= 1--      0.0069                 0.0094                 0.0273
 Beta2  Fr= 1--      0.3154                 0.4718                 0.4131
 AlphaG Fr= 1--     -0.0052                -0.0170                 0.0476
 Gamma2 Fr= 1--      3.7684                -0.0076                -0.8599
 Delta2 Fr= 1--      3.0634                -0.0925                -0.5090
 Raman1 Fr= 1--      10.071                 14.899                 16.478
 ROA1   Fr= 1--     459.791                 -3.691                -98.841
 CID1   Fr= 1--      45.654                 -0.248                 -5.998
 Raman2 Fr= 1--       3.785                  5.661                  4.957
 ROA2   Fr= 1--      65.933                  0.557                -16.567
 CID2   Fr= 1--      17.421                  0.098                 -3.342
 Raman3 Fr= 1--       7.569                 11.322                  9.914
 ROA3   Fr= 1--     459.791                 -3.691                -98.841
 CID3   Fr= 1--      60.743                 -0.326                 -9.970
 RC180  Fr= 1--       0.503                  0.520                  0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.06  -0.12  -0.00     0.02   0.06   0.01
     2   6    -0.00   0.07   0.02    -0.05   0.13   0.07    -0.01  -0.07  -0.04
     3   6    -0.03   0.01   0.01     0.05   0.03  -0.03    -0.06  -0.02  -0.01
     4   6     0.17   0.00  -0.05    -0.10  -0.04   0.04    -0.02  -0.00   0.03
     5   6    -0.08   0.01   0.03     0.04   0.03  -0.02     0.01  -0.01  -0.02
     6   6    -0.01   0.01   0.02    -0.03  -0.03   0.02     0.05   0.01   0.03
     7   6     0.00  -0.05  -0.03     0.08  -0.01  -0.05    -0.05   0.03   0.00
     8   6    -0.01  -0.12  -0.05    -0.05   0.01  -0.09     0.20  -0.02  -0.06
     9   1     0.03  -0.06   0.07    -0.29  -0.26  -0.06    -0.25  -0.29   0.03
    10   1    -0.22   0.27  -0.04    -0.26   0.35   0.03    -0.07   0.36   0.20
    11   1    -0.02  -0.07   0.03     0.06   0.00  -0.01    -0.05  -0.02   0.01
    12   1    -0.25  -0.16   0.05     0.08   0.05   0.01     0.08   0.03   0.02
    13   1    -0.02  -0.04  -0.03     0.11   0.03  -0.01     0.02   0.03   0.03
    14   1     0.20  -0.09  -0.09     0.10  -0.05  -0.03    -0.26   0.02   0.09
    15   1     0.29  -0.03  -0.08     0.33   0.01  -0.09     0.39   0.02  -0.12
    16   6     0.01   0.05   0.02     0.05  -0.01   0.04    -0.08   0.01   0.02
    17   6     0.01   0.06   0.03     0.03  -0.02   0.07    -0.07   0.01   0.01
    18   1    -0.03  -0.12  -0.02     0.01   0.01  -0.18    -0.03  -0.05   0.32
    19   1    -0.02  -0.09   0.18    -0.12   0.02   0.16     0.13  -0.08  -0.07
    20   1    -0.02  -0.02  -0.18    -0.14  -0.03   0.08     0.16   0.04  -0.02
    21   1    -0.09  -0.12  -0.02    -0.26   0.05   0.01    -0.10   0.03   0.01
    22   1    -0.23  -0.02  -0.04     0.10  -0.05  -0.14    -0.12   0.01   0.04
    23   1     0.21  -0.10  -0.03     0.14   0.03  -0.12    -0.13   0.03   0.04
    24   1    -0.23   0.06   0.10     0.19   0.02  -0.05     0.04  -0.01  -0.00
    25   1    -0.16   0.04   0.06     0.30  -0.08  -0.09     0.30  -0.12  -0.13
    26   1    -0.31  -0.35  -0.01     0.06   0.12  -0.02    -0.01   0.02  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1248.5183              1258.0047              1330.5241
 Red. masses --      1.1761                 1.1570                 1.7353
 Frc consts  --      1.0802                 1.0788                 1.8099
 IR Inten    --      1.0034                 2.8588                 1.2728
 RamAct Fr= 1--      1.4595                 4.3789                 1.1913
  Dep-P Fr= 1--      0.6914                 0.7468                 0.4282
  Dep-U Fr= 1--      0.8176                 0.8550                 0.5996
 Alpha2 Fr= 1--      0.0015                 0.0002                 0.0080
 Beta2  Fr= 1--      0.1989                 0.6240                 0.1191
 AlphaG Fr= 1--     -0.0526                 0.0124                -0.0074
 Gamma2 Fr= 1--      2.4035                -0.7315                -0.0800
 Delta2 Fr= 1--      0.7632                 0.0459                 0.1381
 Raman1 Fr= 1--       5.838                 17.515                  4.765
 ROA1   Fr= 1--     255.163                -68.761                 -3.258
 CID1   Fr= 1--      43.707                 -3.926                 -0.684
 Raman2 Fr= 1--       2.386                  7.488                  1.429
 ROA2   Fr= 1--      51.579                -17.924                 -3.024
 CID2   Fr= 1--      21.613                 -2.394                 -2.117
 Raman3 Fr= 1--       4.773                 14.976                  2.857
 ROA3   Fr= 1--     255.163                -68.761                 -3.258
 CID3   Fr= 1--      53.461                 -4.591                 -1.140
 RC180  Fr= 1--       0.635                  0.710                  0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.03     0.01  -0.04   0.05     0.03  -0.02  -0.03
     2   6     0.02  -0.00   0.07     0.01   0.01   0.02     0.07  -0.03  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01   0.01  -0.01    -0.08   0.00   0.04
     4   6    -0.00  -0.01   0.03    -0.02   0.01  -0.05    -0.03   0.05   0.03
     5   6     0.00  -0.00  -0.00     0.01  -0.01   0.02     0.01  -0.03  -0.01
     6   6    -0.01   0.02  -0.05     0.00   0.01  -0.01     0.08   0.04  -0.01
     7   6    -0.02   0.00  -0.01    -0.01  -0.00  -0.01    -0.07  -0.01   0.02
     8   6     0.05  -0.02  -0.01     0.05  -0.01   0.01    -0.10  -0.00   0.13
     9   1    -0.09  -0.18   0.02    -0.17  -0.01  -0.05    -0.10   0.12  -0.16
    10   1    -0.14   0.04  -0.04    -0.10   0.16   0.03    -0.27   0.29  -0.13
    11   1     0.00  -0.01  -0.00     0.02   0.05  -0.02    -0.04   0.04  -0.01
    12   1     0.03   0.01   0.01    -0.01   0.02  -0.07     0.09   0.05  -0.00
    13   1     0.01   0.01   0.01    -0.04  -0.04  -0.02    -0.01   0.04   0.06
    14   1     0.62  -0.08  -0.21     0.22  -0.03  -0.08     0.10   0.02  -0.06
    15   1    -0.53   0.07   0.20    -0.12   0.03   0.06     0.17   0.00  -0.02
    16   6    -0.02   0.01   0.00    -0.02   0.00  -0.00     0.02  -0.00  -0.02
    17   6    -0.02   0.00  -0.00    -0.01   0.01  -0.01     0.02   0.00  -0.04
    18   1    -0.01  -0.02   0.08    -0.01  -0.01   0.07     0.01   0.04  -0.17
    19   1     0.04  -0.03  -0.01     0.05  -0.02  -0.05     0.01   0.08  -0.10
    20   1     0.05   0.02  -0.04     0.06   0.01  -0.02    -0.02  -0.03  -0.10
    21   1    -0.02   0.01   0.00    -0.01   0.00  -0.00     0.17  -0.03  -0.00
    22   1    -0.04   0.00   0.02    -0.06   0.00   0.03     0.06   0.04   0.07
    23   1    -0.05   0.01   0.02    -0.05   0.00   0.04     0.04  -0.08   0.04
    24   1    -0.20   0.03   0.06     0.66  -0.10  -0.23     0.26  -0.11  -0.14
    25   1     0.27  -0.07  -0.11    -0.51   0.07   0.19     0.46  -0.11  -0.16
    26   1     0.05   0.02   0.04     0.00  -0.04   0.07    -0.26  -0.36  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1342.0938              1367.2680              1382.7179
 Red. masses --      1.6989                 1.5152                 1.8457
 Frc consts  --      1.8029                 1.6689                 2.0791
 IR Inten    --      0.4319                 2.4702                 1.0211
 RamAct Fr= 1--     13.1116                 3.5895                 3.2386
  Dep-P Fr= 1--      0.2648                 0.6517                 0.6739
  Dep-U Fr= 1--      0.4187                 0.7891                 0.8052
 Alpha2 Fr= 1--      0.1490                 0.0063                 0.0044
 Beta2  Fr= 1--      0.9151                 0.4721                 0.4346
 AlphaG Fr= 1--     -0.0039                 0.0075                -0.0131
 Gamma2 Fr= 1--      0.7459                 2.3240                -1.8761
 Delta2 Fr= 1--      0.3628                 0.8719                -1.2981
 Raman1 Fr= 1--      52.446                 14.358                 12.954
 ROA1   Fr= 1--      83.219                251.003               -221.641
 CID1   Fr= 1--       1.587                 17.482                -17.109
 Raman2 Fr= 1--      10.981                  5.665                  5.215
 ROA2   Fr= 1--      15.000                 48.801                -34.640
 CID2   Fr= 1--       1.366                  8.614                 -6.642
 Raman3 Fr= 1--      21.961                 11.330                 10.430
 ROA3   Fr= 1--      83.219                251.003               -221.641
 CID3   Fr= 1--       3.789                 22.153                -21.250
 RC180  Fr= 1--      -0.163                  0.578                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.04    -0.10  -0.05  -0.01     0.10   0.03  -0.03
     2   6    -0.02   0.05  -0.02     0.01  -0.05  -0.02    -0.09   0.06   0.05
     3   6     0.05  -0.01  -0.02     0.06   0.00  -0.01    -0.12   0.00   0.03
     4   6     0.02  -0.06  -0.02    -0.02   0.03   0.02     0.06   0.02  -0.01
     5   6    -0.00   0.02   0.01     0.01   0.00  -0.00     0.01  -0.00  -0.00
     6   6    -0.05  -0.02   0.02    -0.02  -0.01   0.00    -0.04   0.03   0.02
     7   6     0.04   0.01  -0.00     0.13   0.01  -0.06     0.15  -0.04  -0.05
     8   6     0.00  -0.04   0.20     0.04  -0.02   0.04     0.00   0.00  -0.00
     9   1    -0.51  -0.28  -0.18     0.28   0.23   0.06    -0.21  -0.30  -0.04
    10   1    -0.18   0.15  -0.10    -0.25   0.54   0.13     0.06  -0.33  -0.07
    11   1     0.04  -0.05   0.01    -0.03   0.01   0.01    -0.10  -0.00   0.05
    12   1    -0.06  -0.03   0.02    -0.02  -0.03   0.01    -0.07  -0.07   0.00
    13   1     0.02  -0.03  -0.05    -0.03   0.02   0.02    -0.11   0.00   0.02
    14   1    -0.10   0.07   0.03    -0.36   0.01   0.13    -0.40  -0.02   0.15
    15   1     0.09   0.01  -0.02    -0.41   0.06   0.13    -0.39  -0.03   0.10
    16   6    -0.01   0.01  -0.03    -0.01  -0.00  -0.01     0.00   0.01   0.00
    17   6    -0.01   0.01  -0.06    -0.00   0.01  -0.01    -0.00  -0.02  -0.00
    18   1    -0.02   0.02  -0.13    -0.01   0.02   0.00    -0.01  -0.03  -0.00
    19   1     0.11   0.02  -0.15     0.05  -0.01  -0.05     0.01  -0.01   0.01
    20   1     0.11  -0.00  -0.17     0.06   0.01  -0.02    -0.01   0.00  -0.01
    21   1     0.16  -0.04  -0.01    -0.00   0.01  -0.00    -0.01   0.03   0.00
    22   1     0.02   0.06   0.15    -0.05   0.01   0.06     0.03  -0.00   0.01
    23   1    -0.04  -0.11   0.12    -0.00  -0.03   0.03    -0.05   0.03   0.00
    24   1    -0.27   0.02   0.06    -0.11   0.04   0.06     0.28  -0.09  -0.13
    25   1    -0.17  -0.01   0.07    -0.00   0.07   0.00     0.25  -0.11  -0.09
    26   1     0.24   0.35   0.00    -0.17  -0.18   0.01    -0.22  -0.19   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1400.2852              1411.6491              1415.8255
 Red. masses --      1.7787                 1.3059                 1.2859
 Frc consts  --      2.0549                 1.5333                 1.5187
 IR Inten    --      0.2450                 5.3974                 2.6824
 RamAct Fr= 1--     12.1163                 0.8597                 8.8893
  Dep-P Fr= 1--      0.4330                 0.6447                 0.4085
  Dep-U Fr= 1--      0.6043                 0.7840                 0.5800
 Alpha2 Fr= 1--      0.0794                 0.0016                 0.0639
 Beta2  Fr= 1--      1.2204                 0.1123                 0.8593
 AlphaG Fr= 1--      0.0051                 0.0009                -0.0114
 Gamma2 Fr= 1--     -3.5320                 0.0310                -0.8141
 Delta2 Fr= 1--     -1.6398                -0.0437                -0.7413
 Raman1 Fr= 1--      48.465                  3.439                 35.557
 ROA1   Fr= 1--    -391.546                  1.579               -101.877
 CID1   Fr= 1--      -8.079                  0.459                 -2.865
 Raman2 Fr= 1--      14.645                  1.348                 10.312
 ROA2   Fr= 1--     -71.649                  1.095                -13.609
 CID2   Fr= 1--      -4.892                  0.812                 -1.320
 Raman3 Fr= 1--      29.290                  2.696                 20.624
 ROA3   Fr= 1--    -391.546                  1.579               -101.877
 CID3   Fr= 1--     -13.368                  0.586                 -4.940
 RC180  Fr= 1--       0.209                  0.568                  0.160
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     2   6     0.03  -0.06  -0.01    -0.01  -0.00   0.01    -0.01   0.01   0.00
     3   6    -0.13   0.06   0.07     0.00   0.00  -0.01    -0.01   0.01   0.00
     4   6     0.12  -0.11  -0.07    -0.00   0.00   0.00     0.04   0.00  -0.01
     5   6    -0.02   0.03   0.02    -0.01  -0.00   0.00    -0.13  -0.06   0.03
     6   6    -0.08  -0.00   0.02     0.00   0.00  -0.00    -0.01   0.00   0.01
     7   6     0.00   0.03  -0.00     0.00  -0.00  -0.01     0.02  -0.01  -0.01
     8   6    -0.02   0.00  -0.02     0.03   0.00  -0.05     0.01  -0.00   0.01
     9   1     0.30   0.24   0.03     0.03  -0.01   0.04     0.00  -0.01   0.00
    10   1    -0.13   0.23   0.04     0.03  -0.03   0.04     0.01  -0.01   0.00
    11   1     0.06  -0.15   0.05     0.02   0.02  -0.02     0.43   0.20  -0.35
    12   1    -0.08  -0.04   0.02     0.02   0.02  -0.00     0.35   0.38  -0.02
    13   1    -0.01  -0.10  -0.13     0.03   0.01   0.01     0.58   0.08   0.09
    14   1     0.01   0.05  -0.00     0.00  -0.01  -0.00    -0.06  -0.01   0.02
    15   1    -0.03   0.07   0.04    -0.03   0.01   0.01    -0.06  -0.01   0.01
    16   6     0.01  -0.00   0.00    -0.02  -0.01   0.09    -0.00   0.00  -0.00
    17   6    -0.00   0.00   0.01    -0.12   0.02   0.03     0.01  -0.00  -0.00
    18   1     0.01   0.01   0.00    -0.07   0.08  -0.31     0.00   0.01   0.01
    19   1    -0.03   0.02   0.01     0.15   0.14  -0.25     0.00  -0.01   0.01
    20   1    -0.02  -0.01   0.00     0.10  -0.09  -0.30     0.02   0.01   0.00
    21   1     0.03   0.01   0.01     0.42  -0.12   0.11    -0.03   0.01  -0.01
    22   1     0.01  -0.00  -0.02     0.43   0.09  -0.17    -0.03  -0.01   0.02
    23   1     0.05  -0.00  -0.04     0.36  -0.19  -0.23    -0.03   0.01   0.02
    24   1     0.25  -0.08  -0.15     0.01   0.00   0.00    -0.00  -0.03  -0.03
    25   1     0.30  -0.08  -0.07    -0.03  -0.00   0.01     0.01  -0.04   0.01
    26   1     0.38   0.54   0.03    -0.01  -0.02   0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1425.2300              1457.9565              1475.1998
 Red. masses --      1.3331                 1.9922                 1.0821
 Frc consts  --      1.5955                 2.4950                 1.3874
 IR Inten    --      1.9052                 0.1254                 3.7206
 RamAct Fr= 1--      3.3786                15.0776                 3.9248
  Dep-P Fr= 1--      0.1547                 0.1369                 0.6425
  Dep-U Fr= 1--      0.2679                 0.2408                 0.7823
 Alpha2 Fr= 1--      0.0516                 0.2409                 0.0076
 Beta2  Fr= 1--      0.1508                 0.6052                 0.5117
 AlphaG Fr= 1--      0.0143                -0.0002                 0.0078
 Gamma2 Fr= 1--     -0.1909                 1.3246                -1.2005
 Delta2 Fr= 1--     -0.0981                 0.2451                -1.0388
 Raman1 Fr= 1--      13.515                 60.310                 15.699
 ROA1   Fr= 1--     -21.465                135.003               -148.486
 CID1   Fr= 1--      -1.588                  2.238                 -9.458
 Raman2 Fr= 1--       1.810                  7.262                  6.141
 ROA2   Fr= 1--      -3.796                 29.830                -20.501
 CID2   Fr= 1--      -2.097                  4.108                 -3.338
 Raman3 Fr= 1--       3.620                 14.524                 12.282
 ROA3   Fr= 1--     -21.465                135.003               -148.486
 CID3   Fr= 1--      -5.929                  9.295                -12.090
 RC180  Fr= 1--      -0.464                 -0.518                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.02    -0.11  -0.10  -0.06    -0.00  -0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.06   0.16  -0.01    -0.01   0.01   0.00
     3   6     0.00   0.01   0.00     0.00   0.05   0.03    -0.03  -0.06  -0.01
     4   6     0.00   0.01   0.00     0.01   0.00   0.00     0.01   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.00  -0.01  -0.00    -0.02  -0.05   0.01    -0.00  -0.02  -0.00
     8   6     0.03  -0.02   0.04     0.12  -0.04   0.07     0.01  -0.00   0.01
     9   1     0.02   0.03  -0.02     0.38   0.15   0.06     0.01   0.00  -0.01
    10   1     0.01  -0.03  -0.03     0.28  -0.30  -0.03     0.02  -0.04  -0.01
    11   1     0.00   0.01  -0.01    -0.02  -0.00   0.01     0.07  -0.14   0.02
    12   1     0.00   0.01  -0.00    -0.03  -0.05   0.03     0.09   0.08   0.03
    13   1     0.01   0.00   0.00    -0.05   0.02   0.03    -0.02  -0.08  -0.09
    14   1     0.02  -0.01  -0.01     0.09   0.12  -0.11    -0.00   0.15  -0.08
    15   1     0.03  -0.02  -0.02     0.24   0.03   0.04     0.06   0.10   0.11
    16   6     0.01   0.02  -0.12    -0.05   0.01   0.02    -0.01  -0.01   0.00
    17   6    -0.09   0.02   0.00    -0.00   0.00  -0.03     0.00   0.01  -0.00
    18   1     0.08  -0.10   0.42    -0.07   0.06  -0.22     0.02   0.17  -0.03
    19   1    -0.14  -0.27   0.35     0.26  -0.15  -0.10    -0.04  -0.03   0.05
    20   1    -0.05   0.15   0.43     0.31   0.06  -0.06     0.17   0.02  -0.04
    21   1     0.32  -0.08   0.07    -0.14   0.04  -0.04    -0.03  -0.07  -0.02
    22   1     0.32   0.11  -0.03    -0.09   0.02   0.16     0.02   0.00  -0.02
    23   1     0.25  -0.21  -0.09    -0.10  -0.04   0.14    -0.04  -0.02   0.07
    24   1     0.02   0.00  -0.01     0.04  -0.11  -0.18     0.28   0.34   0.45
    25   1     0.04   0.01  -0.02     0.21  -0.15   0.01     0.06   0.57  -0.28
    26   1    -0.01  -0.01  -0.00    -0.02  -0.04  -0.01     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.7610              1480.4570              1487.1854
 Red. masses --      1.0494                 1.0857                 1.0477
 Frc consts  --      1.3538                 1.4020                 1.3653
 IR Inten    --      7.4788                 3.3042                 2.7205
 RamAct Fr= 1--      8.2460                28.0136                10.1933
  Dep-P Fr= 1--      0.5378                 0.5226                 0.6949
  Dep-U Fr= 1--      0.6995                 0.6864                 0.8200
 Alpha2 Fr= 1--      0.0337                 0.1240                 0.0098
 Beta2  Fr= 1--      0.9613                 3.2050                 1.3931
 AlphaG Fr= 1--      0.0546                -0.1086                 0.0538
 Gamma2 Fr= 1--      0.4480                 3.6527                -4.0315
 Delta2 Fr= 1--      2.5161                 1.7432                -2.9952
 Raman1 Fr= 1--      32.984                112.054                 40.773
 ROA1   Fr= 1--     123.525                406.439               -482.874
 CID1   Fr= 1--       3.745                  3.627                -11.843
 Raman2 Fr= 1--      11.536                 38.460                 16.717
 ROA2   Fr= 1--      -9.376                 73.718                -72.795
 CID2   Fr= 1--      -0.813                  1.917                 -4.355
 Raman3 Fr= 1--      23.071                 76.920                 33.433
 ROA3   Fr= 1--     123.525                406.439               -482.874
 CID3   Fr= 1--       5.354                  5.284                -14.443
 RC180  Fr= 1--       0.399                  0.373                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.02   0.01     0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.02   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.01   0.01   0.00     0.00  -0.01  -0.00
     4   6    -0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.02   0.01  -0.05    -0.00   0.01  -0.02    -0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00   0.03   0.01     0.00  -0.06  -0.02    -0.00  -0.02  -0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00  -0.01  -0.00
     9   1    -0.00   0.01  -0.00    -0.03  -0.03   0.01    -0.02  -0.01   0.00
    10   1    -0.00   0.00  -0.01    -0.01   0.01   0.02     0.01  -0.01   0.00
    11   1     0.38  -0.19  -0.14     0.16  -0.07  -0.06     0.02  -0.09   0.03
    12   1     0.20  -0.17   0.61     0.07  -0.07   0.24     0.05   0.06  -0.02
    13   1    -0.36   0.20   0.23    -0.13   0.08   0.10     0.00  -0.07  -0.09
    14   1     0.03  -0.21   0.10    -0.08   0.53  -0.25    -0.01   0.14  -0.07
    15   1    -0.06  -0.14  -0.17     0.13   0.37   0.45     0.05   0.09   0.11
    16   6    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.01   0.02   0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01  -0.05  -0.01
    18   1    -0.02  -0.06  -0.04     0.05   0.08   0.12    -0.06  -0.28  -0.04
    19   1     0.07  -0.03  -0.02    -0.15   0.09   0.04     0.15  -0.03  -0.09
    20   1    -0.02   0.01   0.03    -0.04  -0.03  -0.06    -0.19  -0.01   0.07
    21   1     0.01   0.05   0.01     0.01  -0.09  -0.01     0.13   0.60   0.12
    22   1    -0.02   0.00   0.04     0.03  -0.01  -0.09    -0.19   0.02   0.38
    23   1     0.02   0.00  -0.03    -0.02   0.01   0.02     0.22   0.07  -0.36
    24   1     0.05   0.01   0.01    -0.09  -0.09  -0.12     0.02   0.04   0.06
    25   1    -0.02   0.05  -0.01    -0.06  -0.14   0.09    -0.01   0.07  -0.03
    26   1     0.02   0.01   0.01    -0.03  -0.03   0.00    -0.02  -0.02  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.1326              1493.9769              1509.6957
 Red. masses --      1.0620                 1.0549                 1.0475
 Frc consts  --      1.3951                 1.3873                 1.4067
 IR Inten    --     11.8236                 4.9314                 1.6255
 RamAct Fr= 1--     14.5597                 0.6242                 1.2295
  Dep-P Fr= 1--      0.4802                 0.7172                 0.7268
  Dep-U Fr= 1--      0.6489                 0.8353                 0.8418
 Alpha2 Fr= 1--      0.0786                 0.0004                 0.0005
 Beta2  Fr= 1--      1.5746                 0.0869                 0.1725
 AlphaG Fr= 1--      0.0206                -0.0003                -0.0038
 Gamma2 Fr= 1--      0.8980                 0.3210                 0.5287
 Delta2 Fr= 1--      0.8723                 0.0025                 0.2472
 Raman1 Fr= 1--      58.239                  2.497                  4.918
 ROA1   Fr= 1--     114.124                 30.896                 58.669
 CID1   Fr= 1--       1.960                 12.374                 11.929
 Raman2 Fr= 1--      18.895                  1.043                  2.070
 ROA2   Fr= 1--      14.575                  7.684                 10.712
 CID2   Fr= 1--       0.771                  7.369                  5.175
 Raman3 Fr= 1--      37.790                  2.085                  4.140
 ROA3   Fr= 1--     114.124                 30.896                 58.669
 CID3   Fr= 1--       3.020                 14.815                 14.171
 RC180  Fr= 1--       0.298                  0.671                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.01   0.01   0.00
     2   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     3   6    -0.02  -0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.00
     4   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.03  -0.04  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.03  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     8   6    -0.00  -0.00  -0.00    -0.02   0.00   0.02    -0.01  -0.03  -0.01
     9   1     0.01   0.01  -0.00    -0.05  -0.01  -0.02    -0.02  -0.01   0.00
    10   1    -0.01   0.01   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
    11   1    -0.14   0.56  -0.18    -0.02   0.06  -0.02     0.01  -0.06   0.02
    12   1    -0.28  -0.30  -0.00    -0.03  -0.03  -0.01     0.03   0.02   0.01
    13   1     0.09   0.38   0.44     0.01   0.04   0.05    -0.03  -0.03  -0.03
    14   1     0.02   0.05  -0.03    -0.02   0.04  -0.01     0.00  -0.09   0.05
    15   1     0.04   0.04   0.03     0.01   0.03   0.03    -0.03  -0.06  -0.07
    16   6     0.00  -0.00   0.00    -0.03   0.01  -0.01    -0.01  -0.04  -0.01
    17   6    -0.00  -0.01  -0.01     0.01  -0.01   0.04    -0.00  -0.02  -0.00
    18   1     0.01   0.04   0.03    -0.05   0.06  -0.23     0.13   0.60   0.11
    19   1    -0.04   0.03   0.00     0.20  -0.31   0.12    -0.35   0.07   0.22
    20   1    -0.00  -0.01  -0.04     0.30   0.13   0.20     0.39   0.01  -0.19
    21   1    -0.01   0.13   0.01     0.30  -0.05   0.08     0.05   0.29   0.06
    22   1    -0.01   0.02   0.12    -0.26  -0.18  -0.39    -0.10   0.01   0.20
    23   1     0.06  -0.03  -0.04    -0.11   0.40  -0.31     0.13   0.01  -0.17
    24   1     0.08   0.08   0.10    -0.02  -0.01  -0.01    -0.04  -0.06  -0.08
    25   1     0.03   0.13  -0.07    -0.01  -0.01   0.01    -0.01  -0.09   0.05
    26   1     0.09   0.10  -0.00     0.01   0.01  -0.00    -0.01  -0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1515.6523              1745.6560              2981.6987
 Red. masses --      1.1888                 6.6028                 1.0696
 Frc consts  --      1.6090                11.8549                 5.6027
 IR Inten    --      1.7812                 1.3205                33.3609
 RamAct Fr= 1--      4.2378                72.4042               123.8907
  Dep-P Fr= 1--      0.7480                 0.1364                 0.1792
  Dep-U Fr= 1--      0.8558                 0.2401                 0.3039
 Alpha2 Fr= 1--      0.0001                 1.1582                 1.7771
 Beta2  Fr= 1--      0.6045                 2.8976                 6.2745
 AlphaG Fr= 1--     -0.0004                -0.0601                 0.4074
 Gamma2 Fr= 1--     -0.0666                 0.0905                -0.8473
 Delta2 Fr= 1--      0.1814                -0.6665                -2.3627
 Raman1 Fr= 1--      16.951                289.617                495.563
 ROA1   Fr= 1--      -0.587                -12.639               -156.948
 CID1   Fr= 1--      -0.035                 -0.044                 -0.317
 Raman2 Fr= 1--       7.254                 34.771                 75.294
 ROA2   Fr= 1--      -3.050                  7.504                 -1.434
 CID2   Fr= 1--      -0.420                  0.216                 -0.019
 Raman3 Fr= 1--      14.507                 69.542                150.587
 ROA3   Fr= 1--      -0.587                -12.639               -156.948
 CID3   Fr= 1--      -0.040                 -0.182                 -1.042
 RC180  Fr= 1--       0.712                 -0.520                 -0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.02     0.01   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.02   0.05  -0.01    -0.00  -0.02  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.01  -0.04  -0.01    -0.00  -0.07   0.03
     4   6     0.00   0.01   0.00     0.13   0.49   0.09     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.03  -0.04  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01  -0.00    -0.17  -0.45  -0.06     0.00   0.00   0.00
     7   6    -0.00   0.00   0.00     0.02   0.05   0.01     0.00   0.00   0.00
     8   6     0.06  -0.03   0.07    -0.01   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.06   0.02  -0.00    -0.06  -0.04  -0.00     0.01  -0.01  -0.01
    10   1     0.05  -0.04  -0.01    -0.04   0.06   0.02     0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.10  -0.15   0.10    -0.02  -0.02  -0.04
    12   1     0.00   0.00  -0.00     0.14   0.13  -0.01    -0.02   0.02   0.01
    13   1    -0.00  -0.00  -0.00    -0.15  -0.10  -0.08     0.01  -0.06   0.05
    14   1     0.03  -0.07   0.02     0.16   0.12  -0.10    -0.02  -0.02  -0.05
    15   1     0.02  -0.06  -0.07     0.19   0.09   0.03     0.00  -0.00   0.01
    16   6     0.03  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.01  -0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.07  -0.06   0.34     0.00   0.01  -0.03    -0.01   0.00   0.00
    19   1    -0.26   0.38  -0.15     0.01  -0.01  -0.00     0.01   0.01   0.01
    20   1    -0.34  -0.16  -0.28     0.02   0.00  -0.00     0.01  -0.03   0.01
    21   1     0.26  -0.06   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.23  -0.13  -0.29    -0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1    -0.12   0.31  -0.21    -0.00   0.00  -0.00     0.01   0.01   0.01
    24   1     0.05   0.03   0.03     0.10  -0.13  -0.17    -0.07   0.76  -0.59
    25   1     0.05   0.06  -0.04     0.14  -0.17  -0.01     0.09   0.06   0.20
    26   1     0.00  -0.00  -0.00     0.38   0.13  -0.09    -0.01   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2985.7488              3009.4964              3012.4267
 Red. masses --      1.0708                 1.0586                 1.0731
 Frc consts  --      5.6242                 5.6490                 5.7377
 IR Inten    --     45.6335                20.4863                50.1091
 RamAct Fr= 1--    168.3300               126.3498               275.0523
  Dep-P Fr= 1--      0.1868                 0.2254                 0.0575
  Dep-U Fr= 1--      0.3148                 0.3679                 0.1087
 Alpha2 Fr= 1--      2.3670                 1.6028                 5.3369
 Beta2  Fr= 1--      8.8305                 7.7465                 4.9846
 AlphaG Fr= 1--     -0.5146                -0.2900                -0.2151
 Gamma2 Fr= 1--      3.8522               -31.4992                35.8218
 Delta2 Fr= 1--      2.2905               -16.5412                14.1481
 Raman1 Fr= 1--     673.320                505.399               1100.209
 ROA1   Fr= 1--     443.103              -3553.241               3891.637
 CID1   Fr= 1--       0.658                 -7.031                  3.537
 Raman2 Fr= 1--     105.966                 92.958                 59.815
 ROA2   Fr= 1--      74.128               -623.652                746.539
 CID2   Fr= 1--       0.700                 -6.709                 12.481
 Raman3 Fr= 1--     211.932                185.915                119.630
 ROA3   Fr= 1--     443.103              -3553.241               3891.637
 CID3   Fr= 1--       2.091                -19.112                 32.531
 RC180  Fr= 1--      -0.370                 -0.264                 -0.783
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.02  -0.00  -0.05    -0.02  -0.01  -0.05
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00     0.03   0.03  -0.00    -0.02  -0.02   0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.02  -0.05  -0.06     0.00  -0.00   0.00    -0.01   0.03  -0.03
     8   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00     0.02  -0.01  -0.03     0.02  -0.02  -0.04
    10   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.02   0.02  -0.02
    11   1    -0.00  -0.00  -0.00    -0.21  -0.18  -0.44     0.13   0.11   0.26
    12   1    -0.00   0.00   0.00    -0.17   0.20   0.11     0.11  -0.14  -0.07
    13   1     0.00  -0.00   0.00     0.05  -0.38   0.34    -0.03   0.27  -0.24
    14   1     0.32   0.39   0.83    -0.00  -0.00  -0.01     0.03   0.05   0.08
    15   1    -0.04   0.14  -0.15    -0.00   0.01  -0.01     0.07  -0.39   0.33
    16   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    18   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.01   0.01  -0.05
    22   1    -0.00   0.01  -0.00    -0.00   0.02  -0.00     0.02  -0.07   0.02
    23   1    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.04   0.05   0.04
    24   1    -0.00   0.04  -0.03     0.01  -0.17   0.11     0.00  -0.08   0.05
    25   1     0.01   0.01   0.02     0.22   0.20   0.49     0.25   0.23   0.56
    26   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00    -0.02   0.02   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3012.8856              3013.2011              3022.9358
 Red. masses --      1.0820                 1.0364                 1.0401
 Frc consts  --      5.7868                 5.5439                 5.6000
 IR Inten    --     39.2365                31.6122                55.7352
 RamAct Fr= 1--    128.6963               185.8460               340.9551
  Dep-P Fr= 1--      0.7447                 0.0332                 0.0334
  Dep-U Fr= 1--      0.8537                 0.0643                 0.0646
 Alpha2 Fr= 1--      0.0115                 3.8201                 7.0056
 Beta2  Fr= 1--     18.3114                 1.9917                 3.6719
 AlphaG Fr= 1--      0.0562                 0.2420                -0.5530
 Gamma2 Fr= 1--    -14.7091                 2.8760                 3.2165
 Delta2 Fr= 1--      1.2137                -0.6683                -2.0269
 Raman1 Fr= 1--     514.785                743.384               1363.820
 ROA1   Fr= 1--   -1373.237                254.708                243.924
 CID1   Fr= 1--      -2.668                  0.343                  0.179
 Raman2 Fr= 1--     219.736                 23.901                 44.063
 ROA2   Fr= 1--    -362.728                 74.369                 93.412
 CID2   Fr= 1--      -1.651                  3.112                  2.120
 Raman3 Fr= 1--     439.473                 47.801                 88.126
 ROA3   Fr= 1--   -1373.237                254.708                243.924
 CID3   Fr= 1--      -3.125                  5.328                  2.768
 RC180  Fr= 1--       0.707                 -0.871                 -0.871
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.01  -0.01  -0.02     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    10   1    -0.03  -0.03   0.04     0.01   0.00  -0.01     0.01   0.00  -0.01
    11   1     0.08   0.07   0.17     0.03   0.02   0.05     0.01   0.01   0.02
    12   1     0.08  -0.09  -0.05     0.02  -0.03  -0.01     0.01  -0.01  -0.00
    13   1    -0.02   0.18  -0.16    -0.01   0.05  -0.05    -0.00   0.02  -0.01
    14   1    -0.05  -0.09  -0.13    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    15   1    -0.12   0.62  -0.52    -0.00   0.00  -0.00     0.00  -0.01   0.01
    16   6     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.01   0.05
    17   6    -0.00   0.00  -0.00     0.05  -0.01   0.00     0.01  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.08   0.02   0.01     0.29  -0.06  -0.04
    19   1    -0.00  -0.00  -0.00     0.09   0.11   0.10    -0.34  -0.40  -0.37
    20   1    -0.00   0.01  -0.00     0.04  -0.17   0.04    -0.13   0.62  -0.17
    21   1     0.01   0.01  -0.03    -0.08  -0.07   0.41    -0.03  -0.02   0.12
    22   1     0.01  -0.05   0.01    -0.13   0.57  -0.14    -0.04   0.15  -0.04
    23   1     0.03   0.03   0.03    -0.34  -0.37  -0.33    -0.09  -0.10  -0.09
    24   1     0.00  -0.05   0.03    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    25   1     0.15   0.14   0.34     0.04   0.03   0.08     0.01   0.01   0.02
    26   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3048.6008              3063.1122              3066.4866
 Red. masses --      1.0990                 1.1013                 1.1004
 Frc consts  --      6.0181                 6.0881                 6.0965
 IR Inten    --     24.4214                 2.9524                54.7111
 RamAct Fr= 1--    118.4363                23.5170               175.4828
  Dep-P Fr= 1--      0.7417                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8517                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0167                 0.0000                 0.0025
 Beta2  Fr= 1--     16.8122                 3.3595                25.0531
 AlphaG Fr= 1--      0.2433                 0.0007                 0.0477
 Gamma2 Fr= 1--      2.8926                 0.5705                 0.5976
 Delta2 Fr= 1--      6.0070                 0.0115                 3.5416
 Raman1 Fr= 1--     473.745                 94.068                701.931
 ROA1   Fr= 1--     469.914                 55.142                170.704
 CID1   Fr= 1--       0.992                  0.586                  0.243
 Raman2 Fr= 1--     201.747                 40.314                300.637
 ROA2   Fr= 1--      21.367                 13.601                -13.990
 CID2   Fr= 1--       0.106                  0.337                 -0.047
 Raman3 Fr= 1--     403.493                 80.627                601.273
 ROA3   Fr= 1--     469.914                 55.142                170.704
 CID3   Fr= 1--       1.165                  0.684                  0.284
 RC180  Fr= 1--       0.703                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.03   0.02  -0.08    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.30   0.28   0.59     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1     0.05  -0.53   0.44     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    15   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00     0.01   0.05   0.01    -0.02  -0.07  -0.01
    17   6    -0.00   0.00   0.00    -0.02  -0.07  -0.01    -0.01  -0.05  -0.01
    18   1    -0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    19   1     0.00   0.00   0.00    -0.22  -0.24  -0.24     0.32   0.35   0.34
    20   1    -0.00   0.01  -0.00     0.09  -0.37   0.11    -0.12   0.54  -0.16
    21   1     0.00   0.00  -0.00    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    22   1     0.00  -0.00   0.00    -0.14   0.54  -0.14    -0.10   0.38  -0.10
    23   1    -0.00  -0.00  -0.00     0.34   0.35   0.32     0.23   0.24   0.22
    24   1     0.00  -0.02   0.01     0.00  -0.01   0.00     0.00   0.01  -0.00
    25   1     0.01   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.8091              3102.0605              3123.8813
 Red. masses --      1.1002                 1.0985                 1.0953
 Frc consts  --      6.1762                 6.2278                 6.2978
 IR Inten    --     27.3454                20.2287                 8.9841
 RamAct Fr= 1--     61.2454                66.1081                51.5604
  Dep-P Fr= 1--      0.7413                 0.7127                 0.5035
  Dep-U Fr= 1--      0.8515                 0.8323                 0.6698
 Alpha2 Fr= 1--      0.0090                 0.0426                 0.2504
 Beta2  Fr= 1--      8.6913                 9.1699                 5.7558
 AlphaG Fr= 1--      0.0097                -0.0808                -0.3673
 Gamma2 Fr= 1--      0.9390                -2.7949                -5.4864
 Delta2 Fr= 1--     -0.5217                -1.8695                 0.0780
 Raman1 Fr= 1--     244.981                264.432                206.242
 ROA1   Fr= 1--      73.454               -328.132               -524.199
 CID1   Fr= 1--       0.300                 -1.241                 -2.542
 Raman2 Fr= 1--     104.296                110.038                 69.069
 ROA2   Fr= 1--      26.710                -52.121               -132.297
 CID2   Fr= 1--       0.256                 -0.474                 -1.915
 Raman3 Fr= 1--     208.592                220.077                138.138
 ROA3   Fr= 1--      73.454               -328.132               -524.199
 CID3   Fr= 1--       0.352                 -1.491                 -3.795
 RC180  Fr= 1--       0.703                  0.665                  0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.04  -0.07  -0.03    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.02  -0.02  -0.04     0.00   0.00   0.00    -0.01   0.01   0.02
    10   1     0.03   0.02  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.01
    11   1    -0.00  -0.00  -0.00     0.12   0.08   0.21     0.00   0.00   0.00
    12   1     0.00  -0.00  -0.00    -0.57   0.64   0.36     0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00    -0.01   0.17  -0.17     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.09   0.02   0.00
    17   6    -0.00   0.02  -0.09    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.92  -0.17  -0.16
    19   1     0.00   0.01   0.01     0.00   0.00   0.00     0.10   0.14   0.12
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.03  -0.20   0.06
    21   1    -0.19  -0.13   0.86    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    22   1     0.07  -0.29   0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23   1     0.18   0.20   0.15     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.07  -0.05  -0.04    -0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.9838              3131.2260              3139.7834
 Red. masses --      1.0874                 1.0884                 1.0892
 Frc consts  --      6.2727                 6.2876                 6.3263
 IR Inten    --     13.6069                39.7202                34.6221
 RamAct Fr= 1--     86.1105               136.4148               223.5688
  Dep-P Fr= 1--      0.7278                 0.2931                 0.0902
  Dep-U Fr= 1--      0.8425                 0.4534                 0.1654
 Alpha2 Fr= 1--      0.0328                 1.4280                 4.0093
 Beta2  Fr= 1--     12.0908                10.3081                 6.1645
 AlphaG Fr= 1--     -0.0688                -0.0289                -0.1246
 Gamma2 Fr= 1--     -2.7507                -3.1540                -0.3584
 Delta2 Fr= 1--      0.0792                -0.8247                 0.7115
 Raman1 Fr= 1--     344.442                545.659                894.275
 ROA1   Fr= 1--    -261.533               -329.171                -11.638
 CID1   Fr= 1--      -0.759                 -0.603                 -0.013
 Raman2 Fr= 1--     145.089                123.698                 73.974
 ROA2   Fr= 1--     -66.651                -69.097                -14.294
 CID2   Fr= 1--      -0.459                 -0.559                 -0.193
 Raman3 Fr= 1--     290.179                247.395                147.947
 ROA3   Fr= 1--    -261.533               -329.171                -11.638
 CID3   Fr= 1--      -0.901                 -1.331                 -0.079
 RC180  Fr= 1--       0.685                 -0.093                 -0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02  -0.02  -0.05
     2   6    -0.04  -0.02   0.04     0.00  -0.00   0.00     0.04   0.03  -0.04
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.06   0.05   0.03    -0.01   0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.31   0.27   0.60     0.05  -0.05  -0.10    -0.28   0.25   0.55
    10   1     0.40   0.30  -0.44     0.01   0.01  -0.01    -0.44  -0.33   0.48
    11   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    12   1     0.01  -0.01  -0.00     0.06  -0.06  -0.04     0.01  -0.01  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00
    15   1    -0.01   0.03  -0.03     0.00  -0.02   0.02     0.01  -0.04   0.03
    16   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    18   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.02   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    21   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.02  -0.01   0.07
    22   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    24   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
    25   1     0.02   0.02   0.04    -0.00   0.00   0.00     0.02   0.02   0.04
    26   1     0.06  -0.05  -0.03     0.69  -0.58  -0.39     0.07  -0.05  -0.04

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   729.946551882.076572052.97649
           X            0.99998   0.00587  -0.00278
           Y           -0.00585   0.99997   0.00509
           Z            0.00281  -0.00508   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11866     0.04602     0.04219
 Rotational constants (GHZ):           2.47243     0.95891     0.87909
 Zero-point vibrational energy     616314.3 (Joules/Mol)
                                  147.30266 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.99   228.09   259.90   271.90   296.33
          (Kelvin)            339.93   362.05   389.54   488.01   506.03
                              587.84   619.33   669.46   733.39   835.10
                              987.74  1042.17  1111.25  1159.04  1202.58
                             1320.48  1348.80  1371.81  1384.64  1403.45
                             1433.35  1463.24  1488.69  1519.99  1546.12
                             1585.51  1621.46  1680.12  1690.95  1699.26
                             1767.36  1796.34  1809.99  1914.33  1930.97
                             1967.19  1989.42  2014.70  2031.05  2037.06
                             2050.59  2097.67  2122.48  2129.05  2130.05
                             2139.73  2148.28  2149.50  2172.12  2180.69
                             2511.61  4290.00  4295.83  4329.99  4334.21
                             4334.87  4335.32  4349.33  4386.26  4407.14
                             4411.99  4441.23  4463.17  4494.57  4501.91
                             4505.14  4517.45
 
 Zero-point correction=                           0.234742 (Hartree/Particle)
 Thermal correction to Energy=                    0.245197
 Thermal correction to Enthalpy=                  0.246141
 Thermal correction to Gibbs Free Energy=         0.199977
 Sum of electronic and zero-point Energies=           -390.621104
 Sum of electronic and thermal Energies=              -390.610648
 Sum of electronic and thermal Enthalpies=            -390.609704
 Sum of electronic and thermal Free Energies=         -390.655869
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.863             41.122             97.161
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.424
 Vibrational            152.086             35.161             27.100
 Vibration     1          0.600              1.963              3.893
 Vibration     2          0.621              1.893              2.567
 Vibration     3          0.630              1.866              2.322
 Vibration     4          0.633              1.855              2.238
 Vibration     5          0.640              1.831              2.079
 Vibration     6          0.655              1.785              1.831
 Vibration     7          0.664              1.760              1.719
 Vibration     8          0.674              1.727              1.591
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.728              1.572              1.159
 Vibration    11          0.773              1.452              0.932
 Vibration    12          0.792              1.404              0.857
 Vibration    13          0.823              1.327              0.751
 Vibration    14          0.865              1.228              0.634
 Vibration    15          0.937              1.074              0.485
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.104030D-91        -91.982843       -211.798323
 Total V=0       0.978961D+16         15.990765         36.820098
 Vib (Bot)       0.277200-105       -105.557207       -243.054450
 Vib (Bot)    1  0.257678D+01          0.411078          0.946541
 Vib (Bot)    2  0.127580D+01          0.105783          0.243573
 Vib (Bot)    3  0.111162D+01          0.045956          0.105818
 Vib (Bot)    4  0.105944D+01          0.025077          0.057741
 Vib (Bot)    5  0.965881D+00         -0.015076         -0.034715
 Vib (Bot)    6  0.831318D+00         -0.080233         -0.184743
 Vib (Bot)    7  0.775000D+00         -0.110698         -0.254892
 Vib (Bot)    8  0.713537D+00         -0.146584         -0.337521
 Vib (Bot)    9  0.547723D+00         -0.261439         -0.601986
 Vib (Bot)   10  0.523995D+00         -0.280673         -0.646274
 Vib (Bot)   11  0.433492D+00         -0.363019         -0.835882
 Vib (Bot)   12  0.404629D+00         -0.392942         -0.904784
 Vib (Bot)   13  0.363940D+00         -0.438970         -1.010765
 Vib (Bot)   14  0.319632D+00         -0.495350         -1.140585
 Vib (Bot)   15  0.262422D+00         -0.581000         -1.337801
 Vib (V=0)       0.260857D+03          2.416402          5.563971
 Vib (V=0)    1  0.312484D+01          0.494828          1.139384
 Vib (V=0)    2  0.187028D+01          0.271906          0.626088
 Vib (V=0)    3  0.171889D+01          0.235249          0.541680
 Vib (V=0)    4  0.167150D+01          0.223107          0.513722
 Vib (V=0)    5  0.158762D+01          0.200748          0.462238
 Vib (V=0)    6  0.147010D+01          0.167346          0.385329
 Vib (V=0)    7  0.142229D+01          0.152989          0.352271
 Vib (V=0)    8  0.137128D+01          0.137127          0.315747
 Vib (V=0)    9  0.124162D+01          0.093989          0.216417
 Vib (V=0)   10  0.122427D+01          0.087878          0.202347
 Vib (V=0)   11  0.116175D+01          0.065113          0.149929
 Vib (V=0)   12  0.114321D+01          0.058128          0.133844
 Vib (V=0)   13  0.111843D+01          0.048608          0.111924
 Vib (V=0)   14  0.109343D+01          0.038793          0.089324
 Vib (V=0)   15  0.106468D+01          0.027220          0.062676
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.601176D+06          5.779002         13.306643
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000030910   -0.000011240   -0.000011087
      2        6           0.000026123    0.000031548   -0.000007283
      3        6          -0.000043802   -0.000016513   -0.000008809
      4        6           0.000030745   -0.000002616   -0.000002870
      5        6          -0.000005679    0.000005282    0.000006595
      6        6           0.000039985   -0.000031202   -0.000006235
      7        6          -0.000057269    0.000009743    0.000024479
      8        6          -0.000030251   -0.000021457    0.000021218
      9        1           0.000000907   -0.000003845    0.000009464
     10        1          -0.000001767    0.000002662   -0.000000311
     11        1           0.000000926    0.000001602    0.000000177
     12        1           0.000003583    0.000004872    0.000000274
     13        1          -0.000003488    0.000000214    0.000001724
     14        1          -0.000004426    0.000008444    0.000000925
     15        1           0.000002650    0.000002313    0.000002318
     16        6          -0.000010561    0.000000625    0.000010479
     17        6           0.000002051    0.000001205   -0.000006925
     18        1           0.000008182    0.000007271   -0.000030342
     19        1           0.000000360   -0.000002609   -0.000000112
     20        1          -0.000000253    0.000004364   -0.000002198
     21        1          -0.000003137    0.000003685   -0.000004991
     22        1           0.000016345   -0.000002182    0.000003126
     23        1           0.000003026    0.000001053   -0.000001470
     24        1          -0.000003852    0.000000975    0.000001566
     25        1          -0.000004044    0.000005061    0.000001567
     26        1           0.000002733    0.000000746   -0.000001279
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000057269 RMS     0.000014641
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135501D+03  0.453315D+01  0.456027D+00
      2   0.453315D+01  0.123619D+03  0.252619D+01
      3   0.456027D+00  0.252619D+01  0.103485D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.114857D+01  0.216722D-01  0.341386D+01
      2   0.990314D+01 -0.834639D+01  0.110600D+02
      3   0.197418D+02  0.294061D+02  0.678086D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.204817D+02 -0.526150D+02  0.819495D+01
      2   0.857347D+00  0.508227D+02 -0.132858D+02
      3   0.196244D+02  0.179231D+01  0.509089D+01
      4  -0.472079D+02 -0.501816D+02 -0.225074D+02
      5   0.233747D+02 -0.203940D+02  0.353255D+02
      6  -0.106155D+02  0.514177D+01 -0.212726D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303152D+01 -0.712036D+00 -0.207032D+01  0.144762D+00 -0.222974D+01
      2  -0.712036D+00 -0.534261D+00 -0.141466D+01 -0.222974D+01 -0.483174D+01
      3  -0.207032D+01 -0.141466D+01 -0.477929D+01 -0.153622D+00 -0.876928D-03
                 6             7             8             9            10 
      1  -0.153622D+00 -0.437091D+01 -0.289489D+01 -0.457309D+01 -0.247897D+01
      2  -0.876928D-03 -0.289489D+01  0.199009D+01  0.115526D+01  0.136836D+01
      3   0.157953D+01 -0.457309D+01  0.115526D+01  0.170770D+00 -0.434772D-01
                11            12            13            14            15 
      1   0.136836D+01 -0.434772D-01  0.652562D+00 -0.229377D+01  0.140285D+01
      2  -0.147878D+01  0.332107D+01 -0.229377D+01  0.601346D+01  0.655225D+00
      3   0.332107D+01 -0.306848D+01  0.140285D+01  0.655225D+00  0.754517D+00
                16            17            18            19            20 
      1  -0.471938D+00  0.534519D+01 -0.235237D+01 -0.681020D-01 -0.105483D+01
      2   0.534519D+01  0.497387D+00  0.110050D+01 -0.105483D+01 -0.108490D+01
      3  -0.235237D+01  0.110050D+01 -0.223614D-01  0.598904D+00  0.132787D+01
                21            22            23            24            25 
      1   0.598904D+00 -0.144785D+01  0.518067D+00  0.117215D+01  0.100152D+01
      2   0.132787D+01  0.518067D+00  0.106001D+02 -0.338635D+00  0.986157D+00
      3   0.162308D+01  0.117215D+01 -0.338635D+00  0.261492D+01  0.330662D+01
                26            27            28            29            30 
      1   0.986157D+00  0.330662D+01 -0.533322D+01 -0.281887D+01 -0.410544D+00
      2  -0.100951D+01  0.532690D+01 -0.281887D+01 -0.372374D+01 -0.906065D+00
      3   0.532690D+01  0.390569D+01 -0.410544D+00 -0.906065D+00 -0.126725D+01
                31            32            33            34            35 
      1  -0.438820D+01 -0.662012D+01 -0.235067D+01 -0.118213D+01 -0.172649D+01
      2  -0.662012D+01 -0.191929D+02 -0.783304D+00 -0.172649D+01 -0.193964D+01
      3  -0.235067D+01 -0.783304D+00 -0.425469D+01 -0.272257D+01 -0.303542D+01
                36            37            38            39            40 
      1  -0.272257D+01  0.346348D+01  0.967637D+00  0.952142D+00 -0.210934D+00
      2  -0.303542D+01  0.967637D+00  0.440078D+01  0.280390D+01  0.669733D+01
      3  -0.165597D+01  0.952142D+00  0.280390D+01  0.203756D+01  0.226396D+01
                41            42            43            44            45 
      1   0.669733D+01  0.226396D+01  0.150076D+01  0.258407D+01  0.452951D+01
      2   0.561004D+01 -0.318209D+01  0.258407D+01 -0.342241D+01  0.458953D+01
      3  -0.318209D+01  0.273199D+01  0.452951D+01  0.458953D+01  0.133690D+01
                46            47            48            49            50 
      1   0.559055D+01  0.205750D+01 -0.519263D+00  0.430798D+01  0.747728D+01
      2   0.205750D+01  0.716652D+01  0.277231D+01  0.747728D+01  0.157454D+02
      3  -0.519263D+00  0.277231D+01  0.159868D+01  0.278258D+01 -0.696057D+00
                51            52            53            54            55 
      1   0.278258D+01  0.250638D+00  0.339974D+01  0.186169D+01 -0.150624D+01
      2  -0.696057D+00  0.339974D+01 -0.936591D+00  0.344355D+01 -0.179546D+01
      3   0.328092D+01  0.186169D+01  0.344355D+01  0.199425D+01 -0.586415D+00
                56            57            58            59            60 
      1  -0.179546D+01 -0.586415D+00 -0.169347D+01 -0.404715D+01 -0.171397D+01
      2  -0.373034D+01 -0.240341D+01 -0.404715D+01 -0.962046D+01  0.108551D+01
      3  -0.240341D+01 -0.777268D+00 -0.171397D+01  0.108551D+01 -0.286102D+01
                61            62            63            64            65 
      1  -0.591834D+00 -0.230660D+01 -0.127704D+01  0.338153D+01  0.115495D+00
      2  -0.230660D+01  0.119135D+01 -0.619696D+01  0.115495D+00  0.167097D+01
      3  -0.127704D+01 -0.619696D+01 -0.185781D+01  0.436694D+01 -0.759906D+00
                66            67            68            69            70 
      1   0.436694D+01  0.152579D+00  0.583927D+01 -0.102809D+00  0.760842D+01
      2  -0.759906D+00  0.583927D+01 -0.464211D+01  0.268083D+01 -0.825248D+00
      3   0.478591D+01 -0.102809D+00  0.268083D+01  0.139882D+00  0.532907D+01
                71            72            73            74            75 
      1  -0.825248D+00  0.532907D+01  0.184224D+01 -0.137870D+01 -0.151391D+01
      2   0.254188D+01  0.179013D+00 -0.137870D+01  0.933447D+00  0.101043D+01
      3   0.179013D+00 -0.277457D+00 -0.151391D+01  0.101043D+01  0.275352D+01
                76            77            78            79            80 
      1  -0.127964D+01  0.520367D+00  0.592176D+00 -0.194289D+01  0.106393D+01
      2   0.520367D+00 -0.165839D+01 -0.209444D+01  0.106393D+01 -0.222423D+01
      3   0.592176D+00 -0.209444D+01 -0.290394D+01  0.218457D+01 -0.297140D+01
                81            82            83            84            85 
      1   0.218457D+01  0.370052D+01  0.187306D+01 -0.190992D+01  0.162540D+01
      2  -0.297140D+01  0.187306D+01  0.195643D+01 -0.189646D+01  0.132899D+01
      3  -0.638056D+01 -0.190992D+01 -0.189646D+01  0.257372D+01 -0.139243D+01
                86            87            88            89            90 
      1   0.132899D+01 -0.139243D+01 -0.258436D+01 -0.188998D+01  0.225377D+01
      2   0.332258D+01 -0.208901D+01 -0.188998D+01 -0.222414D+01  0.219549D+01
      3  -0.208901D+01  0.179814D+01  0.225377D+01  0.219549D+01 -0.330319D+01
                91            92            93            94            95 
      1  -0.473147D+01 -0.202532D+01 -0.223061D+01 -0.275779D+01 -0.308763D+01
      2  -0.202532D+01 -0.143322D+01 -0.122974D+01 -0.308763D+01 -0.314303D+01
      3  -0.223061D+01 -0.122974D+01 -0.181306D+01 -0.121015D+01 -0.114499D+01
                96            97            98            99           100 
      1  -0.121015D+01 -0.551326D+01 -0.301406D+01 -0.354263D+01 -0.598301D+01
      2  -0.114499D+01 -0.301406D+01 -0.230823D+01 -0.291738D+01  0.188708D+01
      3  -0.176931D+01 -0.354263D+01 -0.291738D+01 -0.447922D+01  0.157214D+01
               101           102           103           104           105 
      1   0.188708D+01  0.157214D+01  0.510255D+01 -0.208068D+01 -0.151453D+01
      2  -0.131536D+01 -0.689523D+00 -0.208068D+01  0.192174D+01  0.967463D+00
      3  -0.689523D+00 -0.128826D+01 -0.151453D+01  0.967463D+00  0.105154D+01
               106           107           108           109           110 
      1   0.254018D+01 -0.846504D+00 -0.201564D+01 -0.527186D+00 -0.800968D+00
      2  -0.846504D+00  0.929031D+00  0.425771D+00 -0.800968D+00  0.164166D+00
      3  -0.201564D+01  0.425771D+00  0.137857D+01  0.429441D+00 -0.338396D+00
               111           112           113           114           115 
      1   0.429441D+00 -0.324363D+01 -0.331428D+01  0.948014D+00  0.191923D+01
      2  -0.338396D+00 -0.331428D+01 -0.709562D+01  0.334542D+01  0.122983D+01
      3  -0.203046D+00  0.948014D+00  0.334542D+01 -0.258840D+01 -0.196699D+01
               116           117           118           119           120 
      1   0.122983D+01 -0.196699D+01  0.181401D+01  0.143685D+01  0.131189D+01
      2   0.394368D+01 -0.348252D+01  0.143685D+01  0.194978D+01  0.141256D+01
      3  -0.348252D+01  0.295793D+01  0.131189D+01  0.141256D+01  0.116246D+01
               121           122           123           124           125 
      1   0.146479D+01  0.193065D+01  0.729355D+00  0.272059D+01  0.164574D+01
      2   0.193065D+01  0.624096D+01  0.233809D+01  0.164574D+01  0.505416D+01
      3   0.729355D+00  0.233809D+01  0.195961D+01  0.142885D+01  0.452688D+01
               126           127           128           129           130 
      1   0.142885D+01 -0.308392D+00  0.115701D+01 -0.669532D+00  0.187305D+01
      2   0.452688D+01  0.115701D+01 -0.978171D+00  0.646801D+00  0.842225D+00
      3   0.443102D+01 -0.669532D+00  0.646801D+00 -0.984092D-01  0.107357D+00
               131           132           133           134           135 
      1   0.842225D+00  0.107357D+00 -0.148729D+01  0.255309D+00  0.315501D+00
      2   0.108710D+02 -0.351295D+01  0.255309D+00 -0.544101D+01  0.396599D+01
      3  -0.351295D+01  0.206778D+01  0.315501D+00  0.396599D+01 -0.231251D+01
               136           137           138           139           140 
      1   0.571887D+01 -0.201692D+01 -0.258560D+01 -0.247231D+01 -0.314472D+01
      2  -0.201692D+01 -0.190051D+01 -0.814951D+00 -0.314472D+01  0.501171D+01
      3  -0.258560D+01 -0.814951D+00 -0.316525D+01 -0.841002D+00 -0.511741D+01
               141           142           143           144           145 
      1  -0.841002D+00 -0.315260D+01 -0.435353D+00 -0.368933D+01 -0.735230D+00
      2  -0.511741D+01 -0.435353D+00 -0.352922D+01 -0.131044D+01 -0.170127D+01
      3  -0.184538D+01 -0.368933D+01 -0.131044D+01 -0.265761D-01 -0.314031D+01
               146           147           148           149           150 
      1  -0.170127D+01 -0.314031D+01 -0.214125D+01 -0.620288D+01 -0.696461D+00
      2  -0.337628D+01 -0.456225D+00 -0.620288D+01  0.562887D+01 -0.245770D+01
      3  -0.456225D+00 -0.242641D+01 -0.696461D+00 -0.245770D+01 -0.182636D+01
               151           152           153           154           155 
      1  -0.370621D+01 -0.705423D+00 -0.401896D+01 -0.761788D+01  0.111959D+01
      2  -0.705423D+00 -0.294468D+01 -0.168123D+01  0.111959D+01 -0.679657D+00
      3  -0.401896D+01 -0.168123D+01  0.523267D+01  0.797084D+00  0.420494D+00
               156           157           158           159           160 
      1   0.797084D+00  0.150891D+01 -0.311689D+00  0.236894D+00  0.941063D+00
      2   0.420494D+00 -0.311689D+00 -0.281260D+00  0.656639D+00  0.157678D+00
      3  -0.236958D+01  0.236894D+00  0.656639D+00  0.707009D+00 -0.109696D+01
               161           162           163           164           165 
      1   0.157678D+00 -0.109696D+01  0.254627D+01  0.128822D+01  0.269292D+01
      2   0.611970D+00  0.333779D+00  0.128822D+01  0.124424D+01  0.105772D+01
      3   0.333779D+00  0.983748D+00  0.269292D+01  0.105772D+01  0.363838D+01
               166           167           168           169           170 
      1   0.204786D+01  0.156104D+01  0.174844D+01  0.184221D+01  0.822773D+00
      2   0.156104D+01  0.143972D+01  0.243345D+01  0.822773D+00  0.143164D+01
      3   0.174844D+01  0.243345D+01  0.378431D+01  0.259508D+01  0.178990D+01
               171           172           173           174           175 
      1   0.259508D+01  0.669905D+00 -0.111283D+01  0.113695D+01 -0.139120D+01
      2   0.178990D+01 -0.111283D+01  0.136462D+01 -0.556470D+00  0.199908D+01
      3   0.527674D+01  0.113695D+01 -0.556470D+00  0.123978D+01 -0.919526D+00
               176           177           178           179           180 
      1   0.199908D+01 -0.919526D+00  0.519968D+00 -0.316283D+00  0.902135D+00
      2  -0.689156D+01  0.401500D+01 -0.316283D+00  0.183925D+01 -0.169162D+01
      3   0.401500D+01 -0.340276D+01  0.902135D+00 -0.169162D+01  0.217389D+01
               181           182           183           184           185 
      1   0.139915D+01  0.343053D+00 -0.133492D+01  0.840428D+00  0.985432D+00
      2   0.343053D+00  0.484515D+00  0.653157D-02  0.985432D+00 -0.226361D+00
      3  -0.133492D+01  0.653157D-02  0.150611D+01 -0.227132D+00 -0.554684D+00
               186           187           188           189           190 
      1  -0.227132D+00 -0.328687D+01  0.113519D+00  0.322006D+01  0.251951D+01
      2  -0.554684D+00  0.113519D+00 -0.798246D+00  0.524193D+00 -0.171102D+01
      3   0.903204D+00  0.322006D+01  0.524193D+00 -0.696170D+01  0.617215D+00
               191           192           193           194           195 
      1  -0.171102D+01  0.617215D+00 -0.458142D+01  0.479423D+01 -0.431649D+00
      2   0.173996D+01 -0.259758D+00  0.479423D+01 -0.779731D+01  0.131463D+01
      3  -0.259758D+00  0.382392D+00 -0.431649D+00  0.131463D+01 -0.112934D+01
               196           197           198           199           200 
      1   0.167860D+01 -0.773297D+00  0.127350D+01  0.650931D+01  0.196267D+01
      2  -0.773297D+00  0.151661D+01 -0.992448D+00  0.196267D+01  0.155020D+01
      3   0.127350D+01 -0.992448D+00  0.385850D+00  0.215754D+01  0.829953D+00
               201           202           203           204           205 
      1   0.215754D+01  0.499004D+01  0.293331D+01  0.143846D+01  0.466690D+01
      2   0.829953D+00  0.293331D+01  0.177096D+01  0.141171D+01  0.114488D+01
      3   0.150868D+01  0.143846D+01  0.141171D+01  0.162430D+01  0.265089D+01
               206           207           208           209           210 
      1   0.114488D+01  0.265089D+01  0.989582D-01 -0.988640D+00  0.404736D+00
      2   0.150567D+01  0.114605D+01 -0.988640D+00 -0.360654D-01 -0.417322D+00
      3   0.114605D+01  0.185928D+01  0.404736D+00 -0.417322D+00 -0.217860D+00
               211           212           213           214           215 
      1  -0.168621D+01 -0.560533D+00  0.128248D+00  0.157370D+01  0.223118D+00
      2  -0.560533D+00 -0.971880D+01  0.165485D+01  0.223118D+00  0.446576D+01
      3   0.128248D+00  0.165485D+01 -0.128673D+01 -0.622807D+00 -0.264740D+01
               216           217           218           219           220 
      1  -0.622807D+00 -0.186840D+01 -0.103484D+01 -0.186697D+01 -0.643501D+00
      2  -0.264740D+01 -0.103484D+01 -0.179437D+01 -0.185536D+01 -0.104115D+01
      3   0.842375D+00 -0.186697D+01 -0.185536D+01 -0.209700D+01 -0.837840D+00
               221           222           223           224           225 
      1  -0.104115D+01 -0.837840D+00 -0.272086D+01 -0.142838D+01 -0.230963D+01
      2  -0.400374D+01 -0.237751D+01 -0.142838D+01 -0.308800D+01 -0.454512D+01
      3  -0.237751D+01 -0.232254D+01 -0.230963D+01 -0.454512D+01 -0.671434D+01
               226           227           228           229           230 
      1  -0.506469D+01  0.357517D+01  0.184387D+01  0.322651D+01 -0.249293D+01
      2   0.357517D+01 -0.255998D+01 -0.161139D+01 -0.249293D+01  0.492674D+01
      3   0.184387D+01 -0.161139D+01 -0.123912D+01 -0.115867D+01  0.179085D+01
               231           232           233           234 
      1  -0.115867D+01  0.224738D+01 -0.180942D+01 -0.166324D+01
      2   0.179085D+01 -0.180942D+01  0.234742D+01  0.769146D+00
      3   0.119284D+01 -0.166324D+01  0.769146D+00  0.106203D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.121228D+01  0.628576D+00 -0.166601D+01  0.118537D+01  0.116060D+02
      2  -0.344214D+01 -0.446147D+00 -0.443074D+01 -0.119645D+01 -0.455147D+01
      3   0.140438D+01 -0.286797D+01  0.260319D+01  0.744347D+01  0.903842D+01
                 6             7             8             9            10 
      1  -0.906831D+00  0.133598D+01  0.158140D+01  0.101375D+00 -0.111863D+01
      2  -0.365046D-01 -0.144969D+02 -0.360722D+01 -0.645177D+01 -0.159860D+01
      3   0.353430D+01  0.822658D+01 -0.168976D+00  0.438338D+01 -0.220362D+01
                11            12            13            14            15 
      1  -0.446471D+01 -0.155479D+00 -0.219096D+01 -0.106923D+02 -0.482406D+01
      2   0.479128D+01 -0.168336D+01  0.326415D+01  0.381080D+00  0.215573D+01
      3  -0.427387D+01 -0.427883D+01  0.974470D+01 -0.137978D+02  0.255653D+01
                16            17            18            19            20 
      1  -0.468001D+01  0.100081D+01 -0.232245D+01  0.131898D+01  0.436233D+01
      2  -0.655447D+01  0.734969D+01 -0.685471D+00 -0.281163D+01 -0.979327D+00
      3  -0.866370D+01  0.464159D+01 -0.556801D+01 -0.144303D+01 -0.433084D+01
                21            22            23            24            25 
      1   0.219567D+01  0.213986D+01 -0.111754D+02  0.511421D+01  0.463127D+01
      2   0.143077D+00 -0.195149D+01 -0.627899D+00 -0.404935D+01 -0.626027D+01
      3   0.471955D+00  0.482191D+01  0.156084D+02 -0.108520D+01  0.213870D+01
                26            27            28            29            30 
      1   0.192565D+02  0.445442D+01  0.889820D-01 -0.666666D+00 -0.145027D-01
      2  -0.562286D+01 -0.196369D+01 -0.114564D+01  0.611561D+01  0.338477D+01
      3  -0.393773D+01  0.319486D+01 -0.120166D+02 -0.211246D+02 -0.505243D+01
                31            32            33            34            35 
      1  -0.113185D+00 -0.371402D+01 -0.230525D+00  0.148512D+01  0.114044D+02
      2   0.830711D+01  0.356206D+01  0.114273D+02 -0.308785D+01  0.727031D+01
      3  -0.164922D+02 -0.464270D+02 -0.283975D+01 -0.829478D+01 -0.492884D+01
                36            37            38            39            40 
      1   0.211453D+01  0.218808D+01  0.513517D+01  0.462400D+01  0.377754D+01
      2   0.549023D+01 -0.535032D+01 -0.122388D+02 -0.562293D+01 -0.840080D+01
      3  -0.775668D+01 -0.245552D+01  0.132157D+02  0.951510D+01  0.283902D+02
                41            42            43            44            45 
      1  -0.339980D+01  0.231687D+01  0.997576D+01  0.102388D+02  0.264279D+01
      2   0.109108D+02 -0.107799D+02 -0.222834D+02 -0.213764D+02 -0.616624D+01
      3   0.165700D+02 -0.144581D+02  0.662189D+01 -0.171892D+02  0.129350D+02
                46            47            48            49            50 
      1  -0.601576D+00 -0.243626D+01 -0.140079D+01 -0.126623D+01  0.547616D+01
      2  -0.231127D+01 -0.454260D+01 -0.299779D+01 -0.336866D+01 -0.106288D+01
      3   0.489108D+01  0.918339D+01  0.468459D+01  0.208146D+02  0.495819D+02
                51            52            53            54            55 
      1  -0.361204D+01 -0.762107D-01  0.909921D+00 -0.956000D+00  0.186932D+01
      2  -0.891049D+01 -0.142891D+02 -0.109282D+02 -0.456938D+01 -0.261879D+01
      3   0.330977D+01  0.724154D+01  0.375744D+01  0.987998D+01 -0.449411D+01
                56            57            58            59            60 
      1   0.690823D+01  0.225264D+01  0.340022D+01 -0.526255D+01  0.678582D+01
      2   0.590479D+00  0.667386D+00  0.657531D+00  0.852669D+00  0.123068D+00
      3  -0.103169D+02 -0.329601D+01 -0.328955D+01 -0.145336D+02 -0.298427D+01
                61            62            63            64            65 
      1   0.689266D+01  0.244804D+02  0.682795D+01  0.249205D+01  0.359129D+01
      2  -0.321023D+01 -0.270566D+01  0.660066D+00  0.152439D+02 -0.321464D+01
      3  -0.633816D+01 -0.650582D+01 -0.533969D+01 -0.810347D+00 -0.103707D+02
                66            67            68            69            70 
      1   0.224663D+01 -0.424706D+01  0.794788D+00 -0.485781D+01  0.784876D+00
      2   0.157923D+02  0.141287D-01  0.783172D+01  0.148944D+01  0.496726D+01
      3   0.604114D+00 -0.929437D+01  0.956777D+01 -0.607469D+01 -0.936050D+00
                71            72            73            74            75 
      1   0.722935D+01 -0.182995D+00  0.552552D+00 -0.756387D+00  0.135751D+01
      2   0.118646D+01 -0.270092D+01  0.269391D+01 -0.103349D+01  0.162422D+01
      3  -0.694026D+01 -0.251093D+01 -0.357711D+00 -0.155745D+01  0.210382D+00
                76            77            78            79            80 
      1  -0.408050D-01  0.123334D+01 -0.921197D+00  0.685598D+00  0.370649D+01
      2  -0.189085D+01 -0.127740D+01 -0.208815D+01 -0.430180D+01 -0.584388D+00
      3   0.326212D+01  0.564047D+00  0.138401D+01  0.217174D+01  0.232809D+01
                81            82            83            84            85 
      1  -0.156567D+01  0.109717D+01 -0.253704D+00 -0.209946D+01  0.408152D+00
      2  -0.160358D+01  0.223460D+01 -0.747617D+00  0.310113D+01 -0.840237D-01
      3   0.651229D+00  0.345056D+01 -0.230850D+01 -0.498625D-01  0.343618D+01
                86            87            88            89            90 
      1  -0.161834D+01 -0.188414D+01 -0.149615D+01  0.170469D+01  0.291160D+01
      2  -0.113321D+01  0.119756D+01 -0.253113D+01 -0.861911D-01 -0.204279D+01
      3  -0.265254D+01  0.842237D+00 -0.196456D+01  0.168838D+01  0.103168D+01
                91            92            93            94            95 
      1  -0.368822D+01 -0.163371D+01 -0.295114D+01 -0.242357D+01 -0.121272D+01
      2   0.805821D+01  0.486972D+01  0.852331D+01  0.472148D+01  0.445499D+01
      3  -0.284362D+01 -0.580867D+01 -0.277868D+01 -0.689365D+01 -0.925605D+01
                96            97            98            99           100 
      1  -0.341774D+01 -0.567221D+01 -0.298656D+01 -0.603535D+01  0.230296D+01
      2   0.739754D+01  0.113711D+02  0.110614D+02  0.176096D+02 -0.418554D+01
      3  -0.278502D+01 -0.411020D+01 -0.628176D+01 -0.721858D+01  0.115794D+02
               101           102           103           104           105 
      1  -0.183052D+01 -0.101492D+01 -0.173217D+01  0.242135D+01 -0.283012D+00
      2   0.224012D+01  0.634410D+01  0.376409D+01 -0.323336D+01 -0.468564D+01
      3  -0.864867D+01 -0.425559D+01 -0.860299D+01  0.104274D+02  0.467885D+01
               106           107           108           109           110 
      1  -0.195205D+01  0.159220D+01  0.742145D+00 -0.394109D+00 -0.105030D+01
      2   0.480552D+01 -0.135956D+01 -0.487717D+01 -0.148306D+01  0.203363D+01
      3  -0.496742D+01  0.541250D+01  0.277747D+01 -0.285415D+01 -0.457818D+00
               111           112           113           114           115 
      1  -0.285976D+00  0.129903D+01  0.132164D+01 -0.431865D+01 -0.289113D+01
      2   0.113700D+01 -0.184041D+01 -0.114239D+02  0.982762D+01  0.436521D+01
      3  -0.136183D+01 -0.690445D+01 -0.236785D+02  0.114537D+02  0.212297D+01
               116           117           118           119           120 
      1  -0.198005D+01  0.338371D+01 -0.451214D+01 -0.364967D+01 -0.408183D+01
      2   0.119251D+02 -0.103162D+02 -0.126230D+01 -0.105756D+01  0.992239D+00
      3   0.147978D+02 -0.109135D+02  0.620026D+01  0.213128D+01  0.377425D+01
               121           122           123           124           125 
      1  -0.123640D+01 -0.540080D+01 -0.663603D+01 -0.406851D+01 -0.103671D+02
      2  -0.525728D+00 -0.942465D+00  0.214939D+00 -0.192567D+01 -0.397900D+00
      3   0.663482D+01  0.706906D+01  0.239439D+01  0.104707D+02  0.546405D+01
               126           127           128           129           130 
      1  -0.133760D+02  0.147725D+01 -0.211446D+01  0.132149D+00  0.650932D+00
      2  -0.884423D+00  0.896616D+00  0.988538D+00  0.114832D+01  0.514940D-01
      3   0.457416D+01 -0.827119D+00  0.859296D+00 -0.129916D+01  0.843056D+01
               131           132           133           134           135 
      1   0.733735D+01 -0.719959D+01 -0.271268D+01 -0.785241D+01  0.615402D+01
      2  -0.108045D+01 -0.284491D-01 -0.177730D+01  0.373222D+00 -0.879198D-01
      3   0.570747D+01 -0.459276D+00 -0.462935D+01 -0.258875D+00  0.232486D+01
               136           137           138           139           140 
      1  -0.769297D+01 -0.476249D+01 -0.346341D+01 -0.776559D+01  0.856287D+01
      2  -0.195841D+02  0.322140D+01  0.476487D+01  0.417743D+01 -0.327087D+01
      3   0.165579D+00  0.201177D+01  0.288883D+01  0.920489D+01 -0.700721D+01
               141           142           143           144           145 
      1  -0.158405D+02 -0.292012D+01 -0.805386D+01 -0.388024D+01 -0.172801D+01
      2  -0.685003D+00  0.814660D+00 -0.106832D+01  0.605051D+01 -0.111577D+02
      3   0.902943D+01  0.256982D+01  0.606952D+01  0.401756D+01  0.802456D+01
               146           147           148           149           150 
      1  -0.524239D+00 -0.208255D+01  0.190839D+00 -0.222260D+01 -0.219324D+01
      2  -0.198219D+01 -0.104593D+02 -0.279334D+01 -0.107099D+02 -0.661803D+01
      3   0.141943D+02  0.338859D+01  0.285028D+02 -0.182052D+02  0.987553D+01
               151           152           153           154           155 
      1  -0.305974D+01  0.137120D+01  0.342801D+01  0.479061D+01 -0.279096D+01
      2  -0.204018D+02 -0.548510D+01  0.185711D+02  0.242614D+02 -0.341311D+01
      3   0.421060D+01  0.103024D+02  0.818343D+01  0.315250D+01 -0.131755D+01
               156           157           158           159           160 
      1   0.636606D-01 -0.210468D+01  0.432625D+00  0.157046D+00 -0.606669D+00
      2  -0.899155D+00 -0.455568D+01  0.135546D+01 -0.216110D+00 -0.458736D+01
      3  -0.314944D+00  0.182022D+01  0.258990D-01 -0.506396D+00 -0.210717D+00
               161           162           163           164           165 
      1   0.145869D+01  0.683566D+00  0.404556D+01  0.504405D+01  0.322914D+01
      2   0.251484D+00  0.219698D+01 -0.111511D+01 -0.862684D+00  0.289717D+01
      3   0.523846D+00  0.164123D+00 -0.223606D+01 -0.402969D+01 -0.258304D+01
               166           167           168           169           170 
      1   0.408254D+01  0.562060D+01  0.539731D+01  0.327171D+01  0.636534D+01
      2  -0.285439D+01  0.105517D+01  0.318879D+01 -0.299812D+01  0.626368D+00
      3  -0.145530D+01 -0.348995D+01 -0.430813D+01 -0.143728D+01 -0.351411D+01
               171           172           173           174           175 
      1   0.605891D+01 -0.892640D+00  0.290482D+01  0.623082D+00  0.352441D+01
      2   0.344163D+01  0.732357D+00  0.382339D+00  0.105101D+01  0.292435D+01
      3  -0.368416D+01  0.893916D+00 -0.265821D+01  0.533966D+00  0.110881D+01
               176           177           178           179           180 
      1  -0.137486D+02  0.306850D+01 -0.472919D+00  0.488713D+01 -0.182545D+01
      2   0.330494D+01 -0.452843D+01 -0.155414D+01 -0.135164D+01  0.193941D+01
      3   0.103424D+02 -0.578467D+01 -0.685960D+00 -0.281435D+01  0.209217D+01
               181           182           183           184           185 
      1  -0.891889D+00 -0.585089D+00  0.844055D+00 -0.154445D+00 -0.426452D+00
      2  -0.436376D+01  0.146443D+00  0.640471D+01  0.841632D-01 -0.111430D+01
      3  -0.174181D+01 -0.241184D+01  0.816589D+00 -0.235222D+01  0.644104D-01
               186           187           188           189           190 
      1  -0.239951D+00  0.143905D+01  0.332837D+01 -0.368326D+01  0.438598D+00
      2   0.332658D+01  0.631226D+01  0.222505D+01 -0.244921D+02  0.227227D+01
      3   0.179946D+01  0.944611D+00  0.398517D+01 -0.341993D+01  0.474861D+01
               191           192           193           194           195 
      1  -0.290087D+00  0.975826D+00 -0.265236D+00  0.123153D+01 -0.384363D+01
      2  -0.126792D+01  0.310642D+01 -0.175798D+01  0.541053D+01 -0.548054D+01
      3  -0.744026D+01  0.724035D+00 -0.112017D+02  0.268276D+02 -0.471316D+01
               196           197           198           199           200 
      1   0.651886D+00  0.229103D+00  0.725900D+00  0.135647D+01  0.939698D+00
      2   0.299973D+01 -0.292508D+01  0.143269D+01  0.803218D+01  0.338160D+01
      3   0.957539D+00 -0.547628D+01  0.246689D+01 -0.104138D+02 -0.898037D+01
               201           202           203           204           205 
      1   0.137413D+00  0.938348D+00  0.121095D+01 -0.795581D+00  0.130571D+01
      2   0.839101D+01  0.510265D+01  0.542629D+01  0.742035D+01  0.750266D+01
      3  -0.433700D+01 -0.107698D+02 -0.890548D+01 -0.591749D+01 -0.577878D+01
               206           207           208           209           210 
      1   0.178663D+01  0.135316D+00  0.247559D+01 -0.106875D+01  0.241632D+00
      2   0.429762D+01  0.754925D+01 -0.764394D+00  0.573858D+00  0.170312D+01
      3  -0.755592D+01 -0.545117D+01 -0.185834D+01  0.537120D-01 -0.149243D+01
               211           212           213           214           215 
      1   0.896342D+00  0.114177D+02 -0.665411D+01 -0.123626D+01 -0.828975D+01
      2  -0.153104D+01 -0.289010D+01  0.162677D+01  0.912786D+00  0.338543D+01
      3   0.601945D+01 -0.120226D+02  0.137550D+01 -0.496383D+01  0.618862D+01
               216           217           218           219           220 
      1   0.520351D+01 -0.226817D+01 -0.201650D+01 -0.299674D+01 -0.337663D+00
      2  -0.196208D+01 -0.164234D+00  0.111893D+01  0.210528D+01 -0.590091D+00
      3  -0.248292D+01  0.282967D+01 -0.307645D+01 -0.153208D+00  0.231536D+01
               221           222           223           224           225 
      1   0.424651D+00 -0.318996D+01 -0.150559D+01 -0.356792D+01 -0.834629D+01
      2   0.179640D+01  0.195547D+01 -0.363000D+01  0.372226D+01  0.540964D+01
      3  -0.432938D+01 -0.120293D+01  0.391862D+01 -0.194724D+01 -0.237623D+01
               226           227           228           229           230 
      1  -0.149353D+01  0.138033D+01  0.328941D+01  0.115261D+01 -0.148004D+01
      2  -0.835091D+00  0.259413D+01  0.455534D+01  0.272362D+00 -0.302390D+01
      3  -0.305210D+01 -0.147026D+01 -0.241538D+00  0.303958D+01  0.517734D+01
               231           232           233           234 
      1  -0.273459D+01  0.315807D+01  0.236726D+01 -0.211511D+01
      2  -0.324459D+01  0.210509D+01  0.155726D+01 -0.177584D+01
      3   0.111396D+01  0.138546D+01  0.235998D+01 -0.195494D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.140322D+02 -0.564961D+01 -0.934149D+01 -0.823529D+01 -0.236189D+01
      2   0.102314D+02  0.229605D+01  0.154123D+01  0.257010D+01  0.783219D+01
      3   0.380088D+01  0.335356D+01  0.780026D+01  0.566520D+01 -0.547030D+01
      4   0.580796D+00 -0.974328D+00 -0.335976D+01 -0.187467D+01 -0.298541D+01
      5  -0.667156D+00 -0.557279D+01 -0.114598D+02  0.738196D+00  0.579130D+00
      6  -0.303720D+01  0.781862D-01  0.408461D+01  0.312231D+01  0.308556D+01
                 6             7             8             9            10 
      1   0.671952D+01 -0.235223D+02 -0.228588D+01 -0.281249D+01 -0.661134D+01
      2  -0.211874D+01  0.835835D+01  0.335751D+01  0.686481D+01  0.638008D+01
      3  -0.460078D+01  0.151639D+02 -0.107163D+01 -0.405231D+01  0.231251D+00
      4   0.306001D+00 -0.851602D+01  0.721670D+01  0.837583D+01 -0.712427D+00
      5   0.532956D+01 -0.923352D+01  0.722176D+01  0.863634D+01  0.473233D+01
      6  -0.480006D+01  0.830978D+01 -0.370843D+01 -0.759929D+01  0.580062D+01
                11            12            13            14            15 
      1   0.678864D+01 -0.325272D+01  0.932294D+01 -0.119123D+02 -0.612226D+00
      2   0.335355D+00  0.258967D+01 -0.290633D+01  0.126759D+02  0.279318D+01
      3  -0.712400D+01  0.663048D+00 -0.641662D+01 -0.763670D+00 -0.218096D+01
      4  -0.664616D+01  0.109514D+02 -0.137441D+02  0.841722D+01  0.682911D+01
      5   0.906258D+01 -0.934325D+01  0.304486D+01  0.361908D+01 -0.324666D+01
      6   0.949778D+00 -0.586036D+01  0.643226D+01  0.348730D+01 -0.184260D+01
                16            17            18            19            20 
      1  -0.579694D+01  0.135715D+02 -0.638267D+01  0.572547D+00  0.895763D+01
      2   0.277718D+01 -0.705908D+01  0.719293D+01  0.191424D+01 -0.203743D+01
      3   0.301976D+01 -0.651246D+01 -0.810260D+00 -0.248679D+01 -0.692020D+01
      4   0.198135D+02  0.402638D+01 -0.273513D+01  0.418393D+01  0.835100D-01
      5  -0.870941D+01 -0.392120D+01  0.506325D+01 -0.370162D+01 -0.359626D+01
      6  -0.657764D+01 -0.782925D+00  0.443058D+01 -0.674344D+00 -0.545038D+01
                21            22            23            24            25 
      1   0.585117D+01  0.156670D+02  0.230795D+02 -0.495094D+01  0.831367D+01
      2  -0.134834D+01 -0.888941D+01 -0.284295D+02  0.121364D+02 -0.317215D+00
      3  -0.450283D+01 -0.677762D+01  0.534999D+01 -0.718542D+01 -0.799645D+01
      4  -0.595424D+01 -0.162123D+01 -0.194417D+02 -0.601731D+01 -0.637825D+01
      5  -0.846264D+01 -0.606406D+01 -0.571296D+01 -0.104153D+02 -0.102595D+02
      6  -0.711948D+01 -0.420420D+01  0.202315D+01 -0.109848D+02 -0.107223D+02
                26            27            28            29            30 
      1  -0.398301D+01  0.981925D+01  0.197361D+02  0.118920D+02  0.187224D+01
      2   0.231818D+02 -0.140957D+01 -0.147507D+02 -0.628022D+01 -0.245536D+01
      3  -0.191988D+02 -0.840968D+01 -0.498542D+01 -0.561179D+01  0.583116D+00
      4  -0.723407D+01 -0.176656D+02  0.334235D+01  0.220980D+02  0.666424D+01
      5  -0.164773D+02 -0.156008D+02  0.470552D+01  0.490223D+01  0.700161D+01
      6  -0.239104D+02 -0.184121D+02  0.139573D+01 -0.546987D+00 -0.196320D+01
                31            32            33            34            35 
      1   0.142005D+02  0.304272D+02  0.996410D+01  0.929136D+01  0.881005D+01
      2  -0.103803D+02 -0.209063D+02 -0.414369D+01 -0.816479D+01 -0.689026D+01
      3  -0.382017D+01 -0.952088D+01 -0.582041D+01 -0.112657D+01 -0.191978D+01
      4   0.263002D+02  0.572889D+02  0.108547D+01  0.724153D+01  0.475337D+01
      5   0.867502D+01 -0.592790D+00  0.148142D+02  0.176631D+02  0.101982D+02
      6  -0.162653D+01  0.514803D+01  0.350904D+01 -0.204473D+00  0.102083D+02
                36            37            38            39            40 
      1   0.763947D+01 -0.212065D+02  0.215597D+01 -0.380752D+01  0.118967D+02
      2  -0.133130D+02  0.162467D+02 -0.248285D+01  0.488762D+00 -0.807078D+01
      3   0.567355D+01  0.495983D+01  0.326874D+00  0.331876D+01 -0.382590D+01
      4   0.737800D+01  0.381067D+01 -0.236003D+02 -0.206960D+02 -0.389660D+02
      5   0.937058D+01 -0.734606D+01 -0.220408D+02 -0.169913D+02 -0.195893D+02
      6  -0.104395D+01 -0.914178D+01 -0.528387D+01 -0.508317D+01  0.299802D+01
                41            42            43            44            45 
      1  -0.257451D+02 -0.252778D+02 -0.123422D+02 -0.311639D+02 -0.201544D+02
      2   0.121282D+02  0.172224D+02  0.622489D+01  0.227114D+02  0.811834D+01
      3   0.136169D+02  0.805542D+01  0.611732D+01  0.845250D+01  0.120361D+02
      4  -0.287564D+02  0.168588D+02 -0.231955D+02  0.153983D+02 -0.291894D+02
      5   0.212928D+02 -0.204932D+02 -0.376872D+02 -0.342860D+02 -0.112831D+02
      6   0.126300D+02 -0.150388D+02 -0.137664D+02 -0.226928D+02 -0.109208D+01
                46            47            48            49            50 
      1  -0.216252D+02 -0.119883D+02 -0.764393D+00 -0.288310D+02 -0.428029D+02
      2   0.132263D+02  0.133986D+02  0.228940D+01  0.259739D+02  0.389703D+02
      3   0.839893D+01 -0.141022D+01 -0.152500D+01  0.285715D+01  0.383264D+01
      4   0.793179D+01 -0.170320D+02 -0.133794D+02 -0.256065D+02 -0.387399D+02
      5   0.108448D+02 -0.106709D+02 -0.348268D+01 -0.106789D+02  0.780444D+01
      6  -0.759754D+01  0.830861D+01  0.296758D+01  0.905620D+01 -0.127108D+02
                51            52            53            54            55 
      1  -0.472175D+01 -0.362099D+01 -0.890472D+01 -0.159879D+02  0.599588D+01
      2   0.695580D+00  0.358815D+01 -0.444151D+01  0.276580D+01 -0.541286D+01
      3   0.402617D+01  0.328378D-01  0.133462D+02  0.132221D+02 -0.583020D+00
      4   0.102770D+02 -0.202060D+02  0.136054D+02 -0.885932D+01  0.165693D+00
      5  -0.115388D+02 -0.913382D+00 -0.856577D+01 -0.167254D+01 -0.452410D+01
      6   0.303127D+01  0.563090D+01  0.170115D+02  0.911261D+00 -0.241498D+01
                56            57            58            59            60 
      1   0.104188D+02  0.750398D+01  0.124296D+02  0.460650D+02 -0.460639D+01
      2  -0.120246D+02 -0.105556D+02 -0.129251D+02 -0.494403D+02  0.975387D+01
      3   0.160576D+01  0.305164D+01  0.495420D+00  0.337528D+01 -0.514748D+01
      4   0.314134D+00  0.292897D-01  0.822847D+01  0.336824D+01 -0.115490D+02
      5  -0.695316D+00 -0.463781D+01  0.673103D-01 -0.713804D+01  0.308404D+00
      6  -0.111836D+02 -0.341777D+01 -0.626539D+01  0.130996D+02 -0.186446D+02
                61            62            63            64            65 
      1   0.912965D+01 -0.803035D+01  0.252073D+02 -0.100633D+01  0.497699D+01
      2  -0.806109D+01  0.155571D+02 -0.290732D+02 -0.525592D+01 -0.506398D+01
      3  -0.106856D+01 -0.752675D+01  0.386596D+01  0.626226D+01  0.869898D-01
      4  -0.200463D+01 -0.137378D+02 -0.429867D+01  0.461743D+01  0.628844D+01
      5  -0.212919D+01 -0.521847D+01 -0.424176D+01  0.149732D+02 -0.648422D+00
      6  -0.115517D+02 -0.421430D+02 -0.764640D+01 -0.166202D+01  0.546076D+01
                66            67            68            69            70 
      1   0.125751D+02  0.790149D+01  0.155704D+02  0.145940D+01  0.237197D+02
      2  -0.983105D+01 -0.618980D+01 -0.885025D+01 -0.304543D+01 -0.156440D+02
      3  -0.274406D+01 -0.171170D+01 -0.672019D+01  0.158602D+01 -0.807572D+01
      4  -0.315315D+01  0.226084D+02 -0.174752D+02  0.872673D+01 -0.467103D+01
      5   0.158941D+02  0.634470D-01  0.937206D+01  0.272264D+01  0.227010D+02
      6  -0.205378D+00  0.149701D+01 -0.665437D+01  0.437655D+01 -0.284793D+01
                71            72            73            74            75 
      1  -0.156138D+01  0.157208D+02  0.197087D+01  0.524598D+00  0.321409D+01
      2  -0.133678D+01 -0.128175D+02 -0.468452D+01  0.102836D+01  0.384891D+01
      3   0.289816D+01 -0.290331D+01  0.271365D+01 -0.155296D+01 -0.706299D+01
      4   0.770607D+01 -0.713975D+00 -0.727581D+01  0.749720D+01  0.561745D+01
      5   0.111556D+01 -0.220743D+01 -0.875880D+01  0.570315D+01  0.138434D+02
      6   0.536663D+01  0.148915D+01  0.541722D+01 -0.430201D+01 -0.636194D+01
                76            77            78            79            80 
      1   0.134006D+01 -0.955027D+01 -0.927107D+01  0.338595D+01 -0.836842D+01
      2   0.817652D+00  0.378252D+01  0.709466D+00  0.383932D+01 -0.176656D+01
      3  -0.215771D+01  0.576775D+01  0.856160D+01 -0.722527D+01  0.101350D+02
      4   0.404690D+01 -0.477398D+01 -0.607496D+01  0.529290D+01 -0.644107D+01
      5   0.451042D+01 -0.616343D+01 -0.755204D+01  0.978408D+01 -0.815961D+01
      6  -0.349558D+01  0.100397D+02  0.131160D+02 -0.549955D+01  0.130770D+02
                81            82            83            84            85 
      1  -0.194592D+02  0.931315D+01  0.804135D+00 -0.335231D+00 -0.200542D+01
      2  -0.986335D+01 -0.674242D+01  0.446526D+00  0.235738D+01  0.166304D+01
      3   0.293225D+02 -0.257073D+01 -0.125066D+01 -0.202215D+01  0.342381D+00
      4  -0.948651D+01  0.150918D+02  0.140295D+02 -0.104407D+02  0.102919D+02
      5  -0.172129D+02 -0.130843D+02 -0.912325D+01  0.141177D+02 -0.713335D+01
      6   0.191773D+02 -0.880399D+01 -0.796742D+01  0.841333D+01 -0.714405D+01
                86            87            88            89            90 
      1  -0.684155D+01  0.342162D+01 -0.993820D+00  0.286058D+01 -0.585358D+01
      2   0.810917D+01 -0.193962D+01  0.337893D+01 -0.138779D+00 -0.374371D+01
      3  -0.126762D+01 -0.148200D+01 -0.238511D+01 -0.272180D+01  0.959729D+01
      4   0.141151D+02 -0.974322D+01 -0.988835D+01 -0.104151D+02  0.114944D+02
      5  -0.887111D+01  0.686412D+01  0.117508D+02  0.979429D+01 -0.137200D+02
      6  -0.125511D+02  0.115183D+02  0.934609D+01  0.130372D+02 -0.145562D+02
                91            92            93            94            95 
      1   0.364129D+02  0.133387D+02  0.159098D+02  0.154716D+02  0.127008D+02
      2  -0.199116D+02 -0.542846D+01 -0.805690D+01 -0.579443D+01 -0.316748D+01
      3  -0.165012D+02 -0.791023D+01 -0.785286D+01 -0.967715D+01 -0.953336D+01
      4   0.173407D+02  0.138679D+02  0.109491D+02  0.231690D+02  0.221067D+02
      5   0.202463D+02  0.110044D+02  0.180556D+02  0.108935D+02  0.926829D+01
      6   0.661053D+01  0.352092D+01  0.452514D+01  0.463880D+01  0.427344D+01
                96            97            98            99           100 
      1   0.725847D+01  0.364130D+02  0.165391D+02  0.167164D+02  0.510128D+02
      2  -0.224917D+01 -0.209446D+02 -0.844610D+01 -0.126697D+02 -0.295227D+02
      3  -0.500929D+01 -0.154683D+02 -0.809303D+01 -0.404671D+01 -0.214901D+02
      4   0.947587D+01  0.237122D+02  0.180807D+02  0.202086D+02 -0.148583D+02
      5   0.139023D+02  0.325128D+02  0.230398D+02  0.354314D+02 -0.161610D+02
      6   0.833833D+01  0.109085D+02  0.122098D+02  0.113665D+02  0.131760D+01
               101           102           103           104           105 
      1  -0.160295D+02 -0.122190D+02 -0.369077D+02  0.136333D+02  0.974116D+01
      2   0.102225D+02  0.884255D+01  0.211859D+02 -0.712821D+01 -0.752038D+01
      3   0.580708D+01  0.337649D+01  0.157217D+02 -0.650507D+01 -0.222078D+01
      4   0.125903D+02  0.541327D+01  0.187947D+02 -0.168946D+02 -0.746000D+01
      5   0.654245D+01  0.138432D+02  0.134986D+02 -0.795451D+01 -0.980258D+01
      6  -0.351983D+00  0.355953D+00 -0.190225D+01  0.180059D+01  0.292883D+01
               106           107           108           109           110 
      1  -0.184379D+02  0.675002D+01  0.109728D+02  0.480773D+01  0.721659D+01
      2   0.131394D+02 -0.594825D+01 -0.951136D+01 -0.264628D+01 -0.448065D+01
      3   0.529843D+01 -0.801778D+00 -0.146145D+01 -0.216145D+01 -0.273594D+01
      4   0.645894D+01 -0.701140D+01 -0.366710D+01  0.498099D+01  0.465140D+01
      5   0.185045D+02 -0.414063D+01 -0.119273D+02 -0.269172D+01  0.146645D+00
      6  -0.732541D+00  0.393707D+01  0.115454D+01 -0.170674D+01  0.167056D+01
               111           112           113           114           115 
      1  -0.415556D+01  0.137321D+02 -0.137685D+01  0.550883D+01 -0.784626D+01
      2   0.200626D+01 -0.460830D+01  0.122063D+02 -0.560280D+01  0.439230D+01
      3   0.214930D+01 -0.912384D+01 -0.108295D+02  0.939630D-01  0.345395D+01
      4  -0.238574D+00  0.230156D+02  0.418792D+02 -0.197571D+02 -0.903581D+01
      5   0.470082D+01 -0.844713D+01 -0.225177D+02  0.188737D+02  0.176643D+02
      6   0.432914D+00 -0.757344D+01 -0.196650D+02  0.143531D+02  0.847929D+01
               116           117           118           119           120 
      1   0.693959D+01 -0.765856D+00 -0.290082D+01 -0.676050D+01 -0.491925D+01
      2  -0.650367D+01 -0.213329D+01  0.304524D+01  0.872713D+01  0.502673D+01
      3  -0.435914D+00  0.289914D+01 -0.144425D+00 -0.196663D+01 -0.107486D+00
      4  -0.234567D+02  0.204216D+02  0.616899D+01  0.931916D+01  0.526544D+01
      5   0.240447D+02 -0.197079D+02  0.246866D+01  0.367359D+01  0.553560D+01
      6   0.182298D+02 -0.136992D+02  0.742902D+01  0.801188D+01  0.608918D+01
               121           122           123           124           125 
      1  -0.627245D+01 -0.258676D+02 -0.939234D+01 -0.799284D+01 -0.209631D+02
      2   0.793337D+01  0.311794D+02  0.105759D+02  0.661646D+01  0.207201D+02
      3  -0.166091D+01 -0.531181D+01 -0.118361D+01  0.137638D+01  0.243031D+00
      4   0.382806D+01  0.425003D+01  0.383269D+01  0.597229D+01  0.629410D+01
      5   0.172326D+01  0.298537D+01  0.147263D+01  0.540297D+01  0.470978D+01
      6   0.464894D+01  0.154930D+02  0.154310D+02  0.877726D+01  0.300213D+02
               126           127           128           129           130 
      1  -0.207735D+02 -0.940524D+00  0.309433D+01 -0.208050D+01 -0.422345D+01
      2   0.157150D+02  0.441186D+01 -0.613436D+01  0.250988D+01  0.219715D+01
      3   0.505845D+01 -0.347134D+01  0.304003D+01 -0.429381D+00  0.202630D+01
      4   0.504525D+01 -0.365838D+01  0.116012D+02 -0.353742D+01  0.527868D+01
      5   0.326091D+01  0.262646D+01 -0.214804D+01  0.422197D+01 -0.184289D+01
      6   0.247369D+02 -0.425370D+01  0.522096D+01 -0.526201D+00  0.126925D+00
               131           132           133           134           135 
      1  -0.461108D+02  0.148562D+02  0.407848D+00  0.251313D+02 -0.181306D+02
      2   0.637339D+02 -0.192492D+02  0.822746D+00 -0.303291D+02  0.169913D+02
      3  -0.176231D+02  0.439296D+01 -0.123059D+01  0.519775D+01  0.113928D+01
      4  -0.100575D+02  0.448001D+01 -0.338974D+01  0.577345D+01 -0.314685D+01
      5   0.311434D+01 -0.137640D+01  0.325973D+01 -0.150767D+01  0.229692D+01
      6  -0.294624D+02  0.171388D+02  0.262650D+01  0.296548D+02 -0.167354D+02
               136           137           138           139           140 
      1   0.162002D+02 -0.482364D+01 -0.624825D+00 -0.808081D+01  0.748134D+01
      2  -0.793256D+00  0.729533D+01  0.898953D+01  0.122328D+02 -0.249608D+01
      3  -0.154070D+02 -0.247169D+01 -0.836471D+01 -0.415203D+01 -0.498526D+01
      4  -0.911116D+01 -0.368900D+01 -0.218292D+01 -0.105409D+02  0.165694D+02
      5  -0.826197D-01 -0.700337D+01 -0.156998D+02 -0.876182D+01 -0.218586D+02
      6  -0.532362D+01 -0.951940D+01 -0.362313D+01 -0.145834D+02  0.215290D+02
               141           142           143           144           145 
      1  -0.498793D+01 -0.393413D+00 -0.253852D+01 -0.104585D+02  0.451187D+01
      2   0.161102D+02  0.832706D+01  0.120954D+02  0.406054D+01 -0.181338D+01
      3  -0.111223D+02 -0.793365D+01 -0.955685D+01  0.639791D+01 -0.269849D+01
      4  -0.180898D+02 -0.759755D+00 -0.111119D+02 -0.421631D+01 -0.176421D+02
      5  -0.999166D+01 -0.224176D+02 -0.679324D+01 -0.109694D+02 -0.221236D+02
      6  -0.205967D+02 -0.252528D+01 -0.169368D+02 -0.894153D+01  0.644345D+00
               146           147           148           149           150 
      1  -0.186533D+02 -0.189441D+02 -0.249271D+02 -0.242411D+02 -0.868225D+01
      2   0.152713D+02  0.780480D+01  0.230213D+02  0.437266D+00  0.742098D+01
      3   0.338206D+01  0.111393D+02  0.190579D+01  0.238039D+02  0.126127D+01
      4  -0.251861D+02 -0.372919D+01 -0.440539D+02  0.383195D+02 -0.179171D+02
      5  -0.405831D+01 -0.195052D+02 -0.651591D+01 -0.161801D+02 -0.125547D+02
      6  -0.205041D+01  0.627228D+00 -0.288881D+01  0.266558D+01 -0.156563D+01
               151           152           153           154           155 
      1  -0.257230D+02 -0.820838D+01 -0.213321D+02 -0.909653D+01 -0.464481D-01
      2   0.805149D+01  0.683737D+01  0.179922D+02  0.262818D+01 -0.452020D+00
      3   0.176715D+02  0.137101D+01  0.333995D+01  0.646835D+01  0.498468D+00
      4  -0.546864D+01 -0.196558D+02 -0.100315D+02  0.593316D+01 -0.152064D-01
      5  -0.275218D+02 -0.107034D+02  0.322711D+02 -0.148134D+02  0.178452D+01
      6   0.776863D+00  0.144685D+01 -0.395955D+01  0.182224D+01 -0.325794D+01
               156           157           158           159           160 
      1   0.950333D+01  0.182685D+01 -0.230371D+01 -0.134037D+01  0.455858D+01
      2   0.280398D+01 -0.221557D+01  0.117422D+01 -0.231680D+01  0.226076D+01
      3  -0.123073D+02  0.388725D+00  0.112949D+01  0.365717D+01 -0.681934D+01
      4  -0.114744D+01  0.172538D+01 -0.760808D+00  0.148052D+01 -0.106791D+01
      5   0.316485D+01  0.273127D+01  0.940644D+00  0.176499D+01  0.729569D+01
      6   0.196374D+01 -0.113760D+01 -0.104430D+01  0.387171D+01  0.428778D+00
               161           162           163           164           165 
      1  -0.911990D+00 -0.368915D+01  0.742672D+01  0.303493D+01  0.132701D+01
      2  -0.102973D+01 -0.276811D+01 -0.119005D+02 -0.494526D+01 -0.128271D+02
      3   0.194172D+01  0.645726D+01  0.447379D+01  0.191034D+01  0.115001D+02
      4  -0.632377D+00  0.122771D+01  0.627414D+01  0.663549D+01  0.471403D+01
      5   0.371245D+00 -0.398423D+01  0.189306D+02  0.795807D+01  0.224879D+02
      6   0.311197D+01  0.109637D+01  0.596615D+01  0.693169D+01  0.540072D+01
               166           167           168           169           170 
      1   0.417324D+01 -0.242576D+01 -0.408593D+01  0.190895D+00 -0.224596D+01
      2  -0.731340D+01 -0.248796D+01 -0.108995D+02 -0.994788D+01 -0.631512D+01
      3   0.314016D+01  0.491372D+01  0.149854D+02  0.975698D+01  0.856109D+01
      4   0.771583D+01  0.648378D+01  0.935897D+01  0.302421D+01  0.553524D+01
      5   0.128884D+02  0.119052D+02  0.170410D+02  0.171577D+02  0.850475D+01
      6   0.814511D+01  0.826756D+01  0.140746D+02  0.466370D+01  0.957306D+01
               171           172           173           174           175 
      1  -0.810570D+01  0.162823D-01 -0.114118D+01 -0.842675D-01 -0.280194D+00
      2  -0.180786D+02 -0.955442D-01 -0.107906D+01 -0.223536D+01 -0.231843D+01
      3   0.261843D+02  0.792618D-01  0.222024D+01  0.231963D+01  0.259862D+01
      4   0.635147D+01 -0.540673D+01  0.933116D+01 -0.418256D+01  0.114412D+02
      5   0.248851D+02  0.544503D+01 -0.540749D+01  0.851977D+01 -0.730580D+01
      6   0.106607D+02 -0.475852D+01  0.626682D+01 -0.299878D+01  0.895484D+01
               176           177           178           179           180 
      1  -0.163869D+02  0.127014D+02 -0.953254D+00  0.723635D+01 -0.737267D+01
      2   0.176167D+02 -0.467441D+01 -0.174398D+01 -0.129135D+01 -0.117910D+01
      3  -0.122988D+01 -0.802700D+01  0.269724D+01 -0.594500D+01  0.855177D+01
      4  -0.227567D+02  0.123558D+02 -0.170008D+01  0.561262D+01 -0.501531D+01
      5   0.139447D+02 -0.103287D+02  0.622007D+01 -0.486331D+01  0.773149D+01
      6  -0.318940D+02  0.232355D+02 -0.281948D+01  0.144435D+02 -0.112445D+02
               181           182           183           184           185 
      1   0.110469D+02  0.262631D+01 -0.925915D+01  0.606813D+01  0.316993D+01
      2  -0.845207D+01 -0.186974D+01  0.679022D+01 -0.437828D+01 -0.962510D+00
      3  -0.259485D+01 -0.756572D+00  0.246893D+01 -0.168984D+01 -0.220743D+01
      4   0.169243D+01  0.440876D+01  0.360931D+00  0.801502D+01 -0.145611D+01
      5  -0.111154D+02 -0.471687D+00  0.157518D+02 -0.193053D+01 -0.353466D+01
      6   0.580625D+00 -0.272754D+00 -0.108360D+01 -0.125712D+01 -0.682176D+00
               186           187           188           189           190 
      1  -0.300320D+00 -0.190670D+02  0.619514D+00  0.993563D+01  0.168694D+02
      2   0.117859D+01  0.146099D+02  0.879049D+00 -0.189584D+02 -0.420457D+01
      3  -0.878266D+00  0.445710D+01 -0.149856D+01  0.902272D+01 -0.126649D+02
      4  -0.379367D+01  0.183926D+01 -0.644397D+01  0.274398D+01 -0.151128D+02
      5   0.612635D+01  0.266784D+02  0.346828D+01 -0.481350D+02  0.392968D+01
      6   0.398124D+01 -0.207769D+01  0.360659D+01  0.445210D+01 -0.972141D+00
               191           192           193           194           195 
      1  -0.101849D+02  0.386276D+01 -0.212918D+02  0.970844D+01  0.303709D+00
      2   0.122577D+01 -0.135292D+01 -0.282038D-01  0.164429D+02 -0.261377D+01
      3   0.895918D+01 -0.250984D+01  0.213200D+02 -0.261513D+02  0.231006D+01
      4   0.197978D+02 -0.254725D+01  0.393992D+02 -0.570113D+02  0.932391D+01
      5  -0.185989D+01  0.520138D+01 -0.223491D+01  0.784498D+01 -0.900035D+01
      6   0.576928D+00 -0.463932D+00  0.147891D+01 -0.229954D+01  0.635585D+01
               196           197           198           199           200 
      1   0.898334D+01 -0.896473D+00  0.384682D+01  0.512460D+02  0.164701D+02
      2  -0.276357D+01 -0.186313D+01 -0.130304D+01 -0.265589D+02 -0.900787D+01
      3  -0.621978D+01  0.275960D+01 -0.254378D+01 -0.246871D+02 -0.746221D+01
      4  -0.620265D+01  0.112989D+02 -0.676498D+01  0.166642D+02  0.154008D+02
      5   0.101704D+02 -0.670700D+01  0.258634D+01  0.178290D+02  0.701662D+01
      6  -0.332900D+01  0.597998D+01 -0.270649D+01  0.117906D+01  0.455784D+00
               201           202           203           204           205 
      1   0.163421D+02  0.347295D+02  0.157997D+02  0.890157D+01  0.308574D+02
      2  -0.907898D+01 -0.178354D+02 -0.443874D+01 -0.546918D+01 -0.173103D+02
      3  -0.726312D+01 -0.168941D+02 -0.113610D+02 -0.343239D+01 -0.135471D+02
      4   0.690428D+01  0.248011D+02  0.153222D+02  0.109889D+02  0.944333D+01
      5   0.147650D+02  0.115180D+02  0.999296D+01  0.129185D+02  0.221324D+02
      6  -0.174228D+00  0.217962D+01  0.177653D+01  0.273656D+01  0.144779D+01
               206           207           208           209           210 
      1   0.762118D+01  0.145174D+02 -0.116653D+01  0.152358D+01 -0.192606D+01
      2  -0.520392D+01 -0.116623D+02  0.304839D+01 -0.177928D+01  0.611191D+00
      3  -0.241726D+01 -0.285510D+01 -0.188186D+01  0.255700D+00  0.131487D+01
      4   0.124144D+02  0.857973D+01  0.100423D+01  0.792653D+01 -0.572365D+00
      5   0.879416D+01  0.154134D+02 -0.143288D+01  0.328182D+00  0.349606D+01
      6   0.220602D+01  0.231273D+01 -0.202725D+01  0.623325D+00  0.987405D+00
               211           212           213           214           215 
      1  -0.944298D+00 -0.266693D+02  0.431441D+01 -0.205858D+01  0.123655D+02
      2   0.288646D+01  0.434404D+02 -0.906113D+01 -0.108345D+01 -0.216111D+02
      3  -0.194216D+01 -0.167710D+02  0.474672D+01  0.314204D+01  0.924560D+01
      4   0.637287D+01  0.150696D+02 -0.232927D+01 -0.273580D+01 -0.711163D+01
      5   0.213213D+00 -0.200261D+01  0.270368D+01  0.333667D+01  0.472975D+01
      6  -0.614650D+00 -0.847647D+01  0.747125D+01  0.248911D+01  0.137476D+02
               216           217           218           219           220 
      1  -0.636153D+01  0.347878D+01 -0.278239D+01 -0.179446D+01 -0.301096D+01
      2   0.628823D+01 -0.464259D+01 -0.408043D+00 -0.273427D+01  0.196784D+01
      3   0.732999D-01  0.116382D+01  0.319044D+01  0.452873D+01  0.104313D+01
      4   0.544018D+01  0.766013D+01  0.109013D+02  0.975251D+01  0.619963D+01
      5  -0.807173D+00  0.112262D+02  0.888439D+01  0.130012D+02  0.396773D+01
      6  -0.396927D+01  0.753791D+01  0.927920D+01  0.867755D+01  0.567275D+01
               221           222           223           224           225 
      1  -0.115979D+02 -0.704381D+01 -0.247941D+01 -0.113265D+02 -0.182213D+02
      2   0.918281D+01  0.253629D+01 -0.207848D+01 -0.132805D+01 -0.558689D+01
      3   0.241505D+01  0.450753D+01  0.455789D+01  0.126545D+02  0.238081D+02
      4   0.107478D+02  0.813923D+01  0.962946D+01  0.113449D+02  0.154823D+02
      5   0.829388D+01  0.744426D+01  0.124858D+02  0.143670D+02  0.218746D+02
      6   0.126425D+02  0.145233D+02  0.980546D+01  0.224962D+02  0.267321D+02
               226           227           228           229           230 
      1   0.186364D+02 -0.971914D+01 -0.384496D+01 -0.677141D+01 -0.385426D+01
      2  -0.407881D+01  0.204852D+00  0.167139D+01 -0.255165D+01  0.142201D+02
      3  -0.145576D+02  0.951429D+01  0.217357D+01  0.932306D+01 -0.103659D+02
      4  -0.291326D+02  0.240193D+02  0.110251D+02  0.206767D+02 -0.282950D+02
      5  -0.109990D+02  0.881589D+01  0.946506D+01  0.597133D+01 -0.843136D+01
      6   0.667278D+01 -0.716869D+01 -0.564418D+01 -0.580264D+01  0.100048D+02
               231           232           233           234 
      1  -0.156142D+01 -0.432761D+01  0.125958D+01  0.249547D+01
      2   0.313918D+01  0.136849D+01  0.447876D+01 -0.907782D+00
      3  -0.157777D+01  0.295913D+01 -0.573833D+01 -0.158769D+01
      4  -0.103316D+02  0.127926D+02 -0.158087D+02 -0.695845D+01
      5  -0.598577D+01  0.965261D+01 -0.448261D+01 -0.689572D+01
      6   0.696661D+01 -0.650285D+01  0.442805D+01  0.561185D+01
 Leave Link  716 at Fri Jul  9 21:35:58 2021, MaxMem= 17179869184 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135501D+03  0.453315D+01  0.456027D+00
      2   0.453315D+01  0.123619D+03  0.252619D+01
      3   0.456027D+00  0.252619D+01  0.103485D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.114857D+01  0.216722D-01  0.341386D+01
      2   0.990314D+01 -0.834639D+01  0.110600D+02
      3   0.197418D+02  0.294061D+02  0.678086D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.204817D+02 -0.526150D+02  0.819495D+01
      2   0.857347D+00  0.508227D+02 -0.132858D+02
      3   0.196244D+02  0.179231D+01  0.509089D+01
      4  -0.472079D+02 -0.501816D+02 -0.225074D+02
      5   0.233747D+02 -0.203940D+02  0.353255D+02
      6  -0.106155D+02  0.514177D+01 -0.212726D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303152D+01 -0.712036D+00 -0.207032D+01  0.144762D+00 -0.222974D+01
      2  -0.712036D+00 -0.534261D+00 -0.141466D+01 -0.222974D+01 -0.483174D+01
      3  -0.207032D+01 -0.141466D+01 -0.477929D+01 -0.153622D+00 -0.876928D-03
                 6             7             8             9            10 
      1  -0.153622D+00 -0.437091D+01 -0.289489D+01 -0.457309D+01 -0.247897D+01
      2  -0.876928D-03 -0.289489D+01  0.199009D+01  0.115526D+01  0.136836D+01
      3   0.157953D+01 -0.457309D+01  0.115526D+01  0.170770D+00 -0.434772D-01
                11            12            13            14            15 
      1   0.136836D+01 -0.434772D-01  0.652562D+00 -0.229377D+01  0.140285D+01
      2  -0.147878D+01  0.332107D+01 -0.229377D+01  0.601346D+01  0.655225D+00
      3   0.332107D+01 -0.306848D+01  0.140285D+01  0.655225D+00  0.754517D+00
                16            17            18            19            20 
      1  -0.471938D+00  0.534519D+01 -0.235237D+01 -0.681020D-01 -0.105483D+01
      2   0.534519D+01  0.497387D+00  0.110050D+01 -0.105483D+01 -0.108490D+01
      3  -0.235237D+01  0.110050D+01 -0.223614D-01  0.598904D+00  0.132787D+01
                21            22            23            24            25 
      1   0.598904D+00 -0.144785D+01  0.518067D+00  0.117215D+01  0.100152D+01
      2   0.132787D+01  0.518067D+00  0.106001D+02 -0.338635D+00  0.986157D+00
      3   0.162308D+01  0.117215D+01 -0.338635D+00  0.261492D+01  0.330662D+01
                26            27            28            29            30 
      1   0.986157D+00  0.330662D+01 -0.533322D+01 -0.281887D+01 -0.410544D+00
      2  -0.100951D+01  0.532690D+01 -0.281887D+01 -0.372374D+01 -0.906065D+00
      3   0.532690D+01  0.390569D+01 -0.410544D+00 -0.906065D+00 -0.126725D+01
                31            32            33            34            35 
      1  -0.438820D+01 -0.662012D+01 -0.235067D+01 -0.118213D+01 -0.172649D+01
      2  -0.662012D+01 -0.191929D+02 -0.783304D+00 -0.172649D+01 -0.193964D+01
      3  -0.235067D+01 -0.783304D+00 -0.425469D+01 -0.272257D+01 -0.303542D+01
                36            37            38            39            40 
      1  -0.272257D+01  0.346348D+01  0.967637D+00  0.952142D+00 -0.210934D+00
      2  -0.303542D+01  0.967637D+00  0.440078D+01  0.280390D+01  0.669733D+01
      3  -0.165597D+01  0.952142D+00  0.280390D+01  0.203756D+01  0.226396D+01
                41            42            43            44            45 
      1   0.669733D+01  0.226396D+01  0.150076D+01  0.258407D+01  0.452951D+01
      2   0.561004D+01 -0.318209D+01  0.258407D+01 -0.342241D+01  0.458953D+01
      3  -0.318209D+01  0.273199D+01  0.452951D+01  0.458953D+01  0.133690D+01
                46            47            48            49            50 
      1   0.559055D+01  0.205750D+01 -0.519263D+00  0.430798D+01  0.747728D+01
      2   0.205750D+01  0.716652D+01  0.277231D+01  0.747728D+01  0.157454D+02
      3  -0.519263D+00  0.277231D+01  0.159868D+01  0.278258D+01 -0.696057D+00
                51            52            53            54            55 
      1   0.278258D+01  0.250638D+00  0.339974D+01  0.186169D+01 -0.150624D+01
      2  -0.696057D+00  0.339974D+01 -0.936591D+00  0.344355D+01 -0.179546D+01
      3   0.328092D+01  0.186169D+01  0.344355D+01  0.199425D+01 -0.586415D+00
                56            57            58            59            60 
      1  -0.179546D+01 -0.586415D+00 -0.169347D+01 -0.404715D+01 -0.171397D+01
      2  -0.373034D+01 -0.240341D+01 -0.404715D+01 -0.962046D+01  0.108551D+01
      3  -0.240341D+01 -0.777268D+00 -0.171397D+01  0.108551D+01 -0.286102D+01
                61            62            63            64            65 
      1  -0.591834D+00 -0.230660D+01 -0.127704D+01  0.338153D+01  0.115495D+00
      2  -0.230660D+01  0.119135D+01 -0.619696D+01  0.115495D+00  0.167097D+01
      3  -0.127704D+01 -0.619696D+01 -0.185781D+01  0.436694D+01 -0.759906D+00
                66            67            68            69            70 
      1   0.436694D+01  0.152579D+00  0.583927D+01 -0.102809D+00  0.760842D+01
      2  -0.759906D+00  0.583927D+01 -0.464211D+01  0.268083D+01 -0.825248D+00
      3   0.478591D+01 -0.102809D+00  0.268083D+01  0.139882D+00  0.532907D+01
                71            72            73            74            75 
      1  -0.825248D+00  0.532907D+01  0.184224D+01 -0.137870D+01 -0.151391D+01
      2   0.254188D+01  0.179013D+00 -0.137870D+01  0.933447D+00  0.101043D+01
      3   0.179013D+00 -0.277457D+00 -0.151391D+01  0.101043D+01  0.275352D+01
                76            77            78            79            80 
      1  -0.127964D+01  0.520367D+00  0.592176D+00 -0.194289D+01  0.106393D+01
      2   0.520367D+00 -0.165839D+01 -0.209444D+01  0.106393D+01 -0.222423D+01
      3   0.592176D+00 -0.209444D+01 -0.290394D+01  0.218457D+01 -0.297140D+01
                81            82            83            84            85 
      1   0.218457D+01  0.370052D+01  0.187306D+01 -0.190992D+01  0.162540D+01
      2  -0.297140D+01  0.187306D+01  0.195643D+01 -0.189646D+01  0.132899D+01
      3  -0.638056D+01 -0.190992D+01 -0.189646D+01  0.257372D+01 -0.139243D+01
                86            87            88            89            90 
      1   0.132899D+01 -0.139243D+01 -0.258436D+01 -0.188998D+01  0.225377D+01
      2   0.332258D+01 -0.208901D+01 -0.188998D+01 -0.222414D+01  0.219549D+01
      3  -0.208901D+01  0.179814D+01  0.225377D+01  0.219549D+01 -0.330319D+01
                91            92            93            94            95 
      1  -0.473147D+01 -0.202532D+01 -0.223061D+01 -0.275779D+01 -0.308763D+01
      2  -0.202532D+01 -0.143322D+01 -0.122974D+01 -0.308763D+01 -0.314303D+01
      3  -0.223061D+01 -0.122974D+01 -0.181306D+01 -0.121015D+01 -0.114499D+01
                96            97            98            99           100 
      1  -0.121015D+01 -0.551326D+01 -0.301406D+01 -0.354263D+01 -0.598301D+01
      2  -0.114499D+01 -0.301406D+01 -0.230823D+01 -0.291738D+01  0.188708D+01
      3  -0.176931D+01 -0.354263D+01 -0.291738D+01 -0.447922D+01  0.157214D+01
               101           102           103           104           105 
      1   0.188708D+01  0.157214D+01  0.510255D+01 -0.208068D+01 -0.151453D+01
      2  -0.131536D+01 -0.689523D+00 -0.208068D+01  0.192174D+01  0.967463D+00
      3  -0.689523D+00 -0.128826D+01 -0.151453D+01  0.967463D+00  0.105154D+01
               106           107           108           109           110 
      1   0.254018D+01 -0.846504D+00 -0.201564D+01 -0.527186D+00 -0.800968D+00
      2  -0.846504D+00  0.929031D+00  0.425771D+00 -0.800968D+00  0.164166D+00
      3  -0.201564D+01  0.425771D+00  0.137857D+01  0.429441D+00 -0.338396D+00
               111           112           113           114           115 
      1   0.429441D+00 -0.324363D+01 -0.331428D+01  0.948014D+00  0.191923D+01
      2  -0.338396D+00 -0.331428D+01 -0.709562D+01  0.334542D+01  0.122983D+01
      3  -0.203046D+00  0.948014D+00  0.334542D+01 -0.258840D+01 -0.196699D+01
               116           117           118           119           120 
      1   0.122983D+01 -0.196699D+01  0.181401D+01  0.143685D+01  0.131189D+01
      2   0.394368D+01 -0.348252D+01  0.143685D+01  0.194978D+01  0.141256D+01
      3  -0.348252D+01  0.295793D+01  0.131189D+01  0.141256D+01  0.116246D+01
               121           122           123           124           125 
      1   0.146479D+01  0.193065D+01  0.729355D+00  0.272059D+01  0.164574D+01
      2   0.193065D+01  0.624096D+01  0.233809D+01  0.164574D+01  0.505416D+01
      3   0.729355D+00  0.233809D+01  0.195961D+01  0.142885D+01  0.452688D+01
               126           127           128           129           130 
      1   0.142885D+01 -0.308392D+00  0.115701D+01 -0.669532D+00  0.187305D+01
      2   0.452688D+01  0.115701D+01 -0.978171D+00  0.646801D+00  0.842225D+00
      3   0.443102D+01 -0.669532D+00  0.646801D+00 -0.984092D-01  0.107357D+00
               131           132           133           134           135 
      1   0.842225D+00  0.107357D+00 -0.148729D+01  0.255309D+00  0.315501D+00
      2   0.108710D+02 -0.351295D+01  0.255309D+00 -0.544101D+01  0.396599D+01
      3  -0.351295D+01  0.206778D+01  0.315501D+00  0.396599D+01 -0.231251D+01
               136           137           138           139           140 
      1   0.571887D+01 -0.201692D+01 -0.258560D+01 -0.247231D+01 -0.314472D+01
      2  -0.201692D+01 -0.190051D+01 -0.814951D+00 -0.314472D+01  0.501171D+01
      3  -0.258560D+01 -0.814951D+00 -0.316525D+01 -0.841002D+00 -0.511741D+01
               141           142           143           144           145 
      1  -0.841002D+00 -0.315260D+01 -0.435353D+00 -0.368933D+01 -0.735230D+00
      2  -0.511741D+01 -0.435353D+00 -0.352922D+01 -0.131044D+01 -0.170127D+01
      3  -0.184538D+01 -0.368933D+01 -0.131044D+01 -0.265761D-01 -0.314031D+01
               146           147           148           149           150 
      1  -0.170127D+01 -0.314031D+01 -0.214125D+01 -0.620288D+01 -0.696461D+00
      2  -0.337628D+01 -0.456225D+00 -0.620288D+01  0.562887D+01 -0.245770D+01
      3  -0.456225D+00 -0.242641D+01 -0.696461D+00 -0.245770D+01 -0.182636D+01
               151           152           153           154           155 
      1  -0.370621D+01 -0.705423D+00 -0.401896D+01 -0.761788D+01  0.111959D+01
      2  -0.705423D+00 -0.294468D+01 -0.168123D+01  0.111959D+01 -0.679657D+00
      3  -0.401896D+01 -0.168123D+01  0.523267D+01  0.797084D+00  0.420494D+00
               156           157           158           159           160 
      1   0.797084D+00  0.150891D+01 -0.311689D+00  0.236894D+00  0.941063D+00
      2   0.420494D+00 -0.311689D+00 -0.281260D+00  0.656639D+00  0.157678D+00
      3  -0.236958D+01  0.236894D+00  0.656639D+00  0.707009D+00 -0.109696D+01
               161           162           163           164           165 
      1   0.157678D+00 -0.109696D+01  0.254627D+01  0.128822D+01  0.269292D+01
      2   0.611970D+00  0.333779D+00  0.128822D+01  0.124424D+01  0.105772D+01
      3   0.333779D+00  0.983748D+00  0.269292D+01  0.105772D+01  0.363838D+01
               166           167           168           169           170 
      1   0.204786D+01  0.156104D+01  0.174844D+01  0.184221D+01  0.822773D+00
      2   0.156104D+01  0.143972D+01  0.243345D+01  0.822773D+00  0.143164D+01
      3   0.174844D+01  0.243345D+01  0.378431D+01  0.259508D+01  0.178990D+01
               171           172           173           174           175 
      1   0.259508D+01  0.669905D+00 -0.111283D+01  0.113695D+01 -0.139120D+01
      2   0.178990D+01 -0.111283D+01  0.136462D+01 -0.556470D+00  0.199908D+01
      3   0.527674D+01  0.113695D+01 -0.556470D+00  0.123978D+01 -0.919526D+00
               176           177           178           179           180 
      1   0.199908D+01 -0.919526D+00  0.519968D+00 -0.316283D+00  0.902135D+00
      2  -0.689156D+01  0.401500D+01 -0.316283D+00  0.183925D+01 -0.169162D+01
      3   0.401500D+01 -0.340276D+01  0.902135D+00 -0.169162D+01  0.217389D+01
               181           182           183           184           185 
      1   0.139915D+01  0.343053D+00 -0.133492D+01  0.840428D+00  0.985432D+00
      2   0.343053D+00  0.484515D+00  0.653157D-02  0.985432D+00 -0.226361D+00
      3  -0.133492D+01  0.653157D-02  0.150611D+01 -0.227132D+00 -0.554684D+00
               186           187           188           189           190 
      1  -0.227132D+00 -0.328687D+01  0.113519D+00  0.322006D+01  0.251951D+01
      2  -0.554684D+00  0.113519D+00 -0.798246D+00  0.524193D+00 -0.171102D+01
      3   0.903204D+00  0.322006D+01  0.524193D+00 -0.696170D+01  0.617215D+00
               191           192           193           194           195 
      1  -0.171102D+01  0.617215D+00 -0.458142D+01  0.479423D+01 -0.431649D+00
      2   0.173996D+01 -0.259758D+00  0.479423D+01 -0.779731D+01  0.131463D+01
      3  -0.259758D+00  0.382392D+00 -0.431649D+00  0.131463D+01 -0.112934D+01
               196           197           198           199           200 
      1   0.167860D+01 -0.773297D+00  0.127350D+01  0.650931D+01  0.196267D+01
      2  -0.773297D+00  0.151661D+01 -0.992448D+00  0.196267D+01  0.155020D+01
      3   0.127350D+01 -0.992448D+00  0.385850D+00  0.215754D+01  0.829953D+00
               201           202           203           204           205 
      1   0.215754D+01  0.499004D+01  0.293331D+01  0.143846D+01  0.466690D+01
      2   0.829953D+00  0.293331D+01  0.177096D+01  0.141171D+01  0.114488D+01
      3   0.150868D+01  0.143846D+01  0.141171D+01  0.162430D+01  0.265089D+01
               206           207           208           209           210 
      1   0.114488D+01  0.265089D+01  0.989582D-01 -0.988640D+00  0.404736D+00
      2   0.150567D+01  0.114605D+01 -0.988640D+00 -0.360654D-01 -0.417322D+00
      3   0.114605D+01  0.185928D+01  0.404736D+00 -0.417322D+00 -0.217860D+00
               211           212           213           214           215 
      1  -0.168621D+01 -0.560533D+00  0.128248D+00  0.157370D+01  0.223118D+00
      2  -0.560533D+00 -0.971880D+01  0.165485D+01  0.223118D+00  0.446576D+01
      3   0.128248D+00  0.165485D+01 -0.128673D+01 -0.622807D+00 -0.264740D+01
               216           217           218           219           220 
      1  -0.622807D+00 -0.186840D+01 -0.103484D+01 -0.186697D+01 -0.643501D+00
      2  -0.264740D+01 -0.103484D+01 -0.179437D+01 -0.185536D+01 -0.104115D+01
      3   0.842375D+00 -0.186697D+01 -0.185536D+01 -0.209700D+01 -0.837840D+00
               221           222           223           224           225 
      1  -0.104115D+01 -0.837840D+00 -0.272086D+01 -0.142838D+01 -0.230963D+01
      2  -0.400374D+01 -0.237751D+01 -0.142838D+01 -0.308800D+01 -0.454512D+01
      3  -0.237751D+01 -0.232254D+01 -0.230963D+01 -0.454512D+01 -0.671434D+01
               226           227           228           229           230 
      1  -0.506469D+01  0.357517D+01  0.184387D+01  0.322651D+01 -0.249293D+01
      2   0.357517D+01 -0.255998D+01 -0.161139D+01 -0.249293D+01  0.492674D+01
      3   0.184387D+01 -0.161139D+01 -0.123912D+01 -0.115867D+01  0.179085D+01
               231           232           233           234 
      1  -0.115867D+01  0.224738D+01 -0.180942D+01 -0.166324D+01
      2   0.179085D+01 -0.180942D+01  0.234742D+01  0.769146D+00
      3   0.119284D+01 -0.166324D+01  0.769146D+00  0.106203D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.121228D+01  0.628576D+00 -0.166601D+01  0.118537D+01  0.116060D+02
      2  -0.344214D+01 -0.446147D+00 -0.443074D+01 -0.119645D+01 -0.455147D+01
      3   0.140438D+01 -0.286797D+01  0.260319D+01  0.744347D+01  0.903842D+01
                 6             7             8             9            10 
      1  -0.906831D+00  0.133598D+01  0.158140D+01  0.101375D+00 -0.111863D+01
      2  -0.365046D-01 -0.144969D+02 -0.360722D+01 -0.645177D+01 -0.159860D+01
      3   0.353430D+01  0.822658D+01 -0.168976D+00  0.438338D+01 -0.220362D+01
                11            12            13            14            15 
      1  -0.446471D+01 -0.155479D+00 -0.219096D+01 -0.106923D+02 -0.482406D+01
      2   0.479128D+01 -0.168336D+01  0.326415D+01  0.381080D+00  0.215573D+01
      3  -0.427387D+01 -0.427883D+01  0.974470D+01 -0.137978D+02  0.255653D+01
                16            17            18            19            20 
      1  -0.468001D+01  0.100081D+01 -0.232245D+01  0.131898D+01  0.436233D+01
      2  -0.655447D+01  0.734969D+01 -0.685471D+00 -0.281163D+01 -0.979327D+00
      3  -0.866370D+01  0.464159D+01 -0.556801D+01 -0.144303D+01 -0.433084D+01
                21            22            23            24            25 
      1   0.219567D+01  0.213986D+01 -0.111754D+02  0.511421D+01  0.463127D+01
      2   0.143077D+00 -0.195149D+01 -0.627899D+00 -0.404935D+01 -0.626027D+01
      3   0.471955D+00  0.482191D+01  0.156084D+02 -0.108520D+01  0.213870D+01
                26            27            28            29            30 
      1   0.192565D+02  0.445442D+01  0.889820D-01 -0.666666D+00 -0.145027D-01
      2  -0.562286D+01 -0.196369D+01 -0.114564D+01  0.611561D+01  0.338477D+01
      3  -0.393773D+01  0.319486D+01 -0.120166D+02 -0.211246D+02 -0.505243D+01
                31            32            33            34            35 
      1  -0.113185D+00 -0.371402D+01 -0.230525D+00  0.148512D+01  0.114044D+02
      2   0.830711D+01  0.356206D+01  0.114273D+02 -0.308785D+01  0.727031D+01
      3  -0.164922D+02 -0.464270D+02 -0.283975D+01 -0.829478D+01 -0.492884D+01
                36            37            38            39            40 
      1   0.211453D+01  0.218808D+01  0.513517D+01  0.462400D+01  0.377754D+01
      2   0.549023D+01 -0.535032D+01 -0.122388D+02 -0.562293D+01 -0.840080D+01
      3  -0.775668D+01 -0.245552D+01  0.132157D+02  0.951510D+01  0.283902D+02
                41            42            43            44            45 
      1  -0.339980D+01  0.231687D+01  0.997576D+01  0.102388D+02  0.264279D+01
      2   0.109108D+02 -0.107799D+02 -0.222834D+02 -0.213764D+02 -0.616624D+01
      3   0.165700D+02 -0.144581D+02  0.662189D+01 -0.171892D+02  0.129350D+02
                46            47            48            49            50 
      1  -0.601576D+00 -0.243626D+01 -0.140079D+01 -0.126623D+01  0.547616D+01
      2  -0.231127D+01 -0.454260D+01 -0.299779D+01 -0.336866D+01 -0.106288D+01
      3   0.489108D+01  0.918339D+01  0.468459D+01  0.208146D+02  0.495819D+02
                51            52            53            54            55 
      1  -0.361204D+01 -0.762107D-01  0.909921D+00 -0.956000D+00  0.186932D+01
      2  -0.891049D+01 -0.142891D+02 -0.109282D+02 -0.456938D+01 -0.261879D+01
      3   0.330977D+01  0.724154D+01  0.375744D+01  0.987998D+01 -0.449411D+01
                56            57            58            59            60 
      1   0.690823D+01  0.225264D+01  0.340022D+01 -0.526255D+01  0.678582D+01
      2   0.590479D+00  0.667386D+00  0.657531D+00  0.852669D+00  0.123068D+00
      3  -0.103169D+02 -0.329601D+01 -0.328955D+01 -0.145336D+02 -0.298427D+01
                61            62            63            64            65 
      1   0.689266D+01  0.244804D+02  0.682795D+01  0.249205D+01  0.359129D+01
      2  -0.321023D+01 -0.270566D+01  0.660066D+00  0.152439D+02 -0.321464D+01
      3  -0.633816D+01 -0.650582D+01 -0.533969D+01 -0.810347D+00 -0.103707D+02
                66            67            68            69            70 
      1   0.224663D+01 -0.424706D+01  0.794788D+00 -0.485781D+01  0.784876D+00
      2   0.157923D+02  0.141287D-01  0.783172D+01  0.148944D+01  0.496726D+01
      3   0.604114D+00 -0.929437D+01  0.956777D+01 -0.607469D+01 -0.936050D+00
                71            72            73            74            75 
      1   0.722935D+01 -0.182995D+00  0.552552D+00 -0.756387D+00  0.135751D+01
      2   0.118646D+01 -0.270092D+01  0.269391D+01 -0.103349D+01  0.162422D+01
      3  -0.694026D+01 -0.251093D+01 -0.357711D+00 -0.155745D+01  0.210382D+00
                76            77            78            79            80 
      1  -0.408050D-01  0.123334D+01 -0.921197D+00  0.685598D+00  0.370649D+01
      2  -0.189085D+01 -0.127740D+01 -0.208815D+01 -0.430180D+01 -0.584388D+00
      3   0.326212D+01  0.564047D+00  0.138401D+01  0.217174D+01  0.232809D+01
                81            82            83            84            85 
      1  -0.156567D+01  0.109717D+01 -0.253704D+00 -0.209946D+01  0.408152D+00
      2  -0.160358D+01  0.223460D+01 -0.747617D+00  0.310113D+01 -0.840237D-01
      3   0.651229D+00  0.345056D+01 -0.230850D+01 -0.498625D-01  0.343618D+01
                86            87            88            89            90 
      1  -0.161834D+01 -0.188414D+01 -0.149615D+01  0.170469D+01  0.291160D+01
      2  -0.113321D+01  0.119756D+01 -0.253113D+01 -0.861911D-01 -0.204279D+01
      3  -0.265254D+01  0.842237D+00 -0.196456D+01  0.168838D+01  0.103168D+01
                91            92            93            94            95 
      1  -0.368822D+01 -0.163371D+01 -0.295114D+01 -0.242357D+01 -0.121272D+01
      2   0.805821D+01  0.486972D+01  0.852331D+01  0.472148D+01  0.445499D+01
      3  -0.284362D+01 -0.580867D+01 -0.277868D+01 -0.689365D+01 -0.925605D+01
                96            97            98            99           100 
      1  -0.341774D+01 -0.567221D+01 -0.298656D+01 -0.603535D+01  0.230296D+01
      2   0.739754D+01  0.113711D+02  0.110614D+02  0.176096D+02 -0.418554D+01
      3  -0.278502D+01 -0.411020D+01 -0.628176D+01 -0.721858D+01  0.115794D+02
               101           102           103           104           105 
      1  -0.183052D+01 -0.101492D+01 -0.173217D+01  0.242135D+01 -0.283012D+00
      2   0.224012D+01  0.634410D+01  0.376409D+01 -0.323336D+01 -0.468564D+01
      3  -0.864867D+01 -0.425559D+01 -0.860299D+01  0.104274D+02  0.467885D+01
               106           107           108           109           110 
      1  -0.195205D+01  0.159220D+01  0.742145D+00 -0.394109D+00 -0.105030D+01
      2   0.480552D+01 -0.135956D+01 -0.487717D+01 -0.148306D+01  0.203363D+01
      3  -0.496742D+01  0.541250D+01  0.277747D+01 -0.285415D+01 -0.457818D+00
               111           112           113           114           115 
      1  -0.285976D+00  0.129903D+01  0.132164D+01 -0.431865D+01 -0.289113D+01
      2   0.113700D+01 -0.184041D+01 -0.114239D+02  0.982762D+01  0.436521D+01
      3  -0.136183D+01 -0.690445D+01 -0.236785D+02  0.114537D+02  0.212297D+01
               116           117           118           119           120 
      1  -0.198005D+01  0.338371D+01 -0.451214D+01 -0.364967D+01 -0.408183D+01
      2   0.119251D+02 -0.103162D+02 -0.126230D+01 -0.105756D+01  0.992239D+00
      3   0.147978D+02 -0.109135D+02  0.620026D+01  0.213128D+01  0.377425D+01
               121           122           123           124           125 
      1  -0.123640D+01 -0.540080D+01 -0.663603D+01 -0.406851D+01 -0.103671D+02
      2  -0.525728D+00 -0.942465D+00  0.214939D+00 -0.192567D+01 -0.397900D+00
      3   0.663482D+01  0.706906D+01  0.239439D+01  0.104707D+02  0.546405D+01
               126           127           128           129           130 
      1  -0.133760D+02  0.147725D+01 -0.211446D+01  0.132149D+00  0.650932D+00
      2  -0.884423D+00  0.896616D+00  0.988538D+00  0.114832D+01  0.514940D-01
      3   0.457416D+01 -0.827119D+00  0.859296D+00 -0.129916D+01  0.843056D+01
               131           132           133           134           135 
      1   0.733735D+01 -0.719959D+01 -0.271268D+01 -0.785241D+01  0.615402D+01
      2  -0.108045D+01 -0.284491D-01 -0.177730D+01  0.373222D+00 -0.879198D-01
      3   0.570747D+01 -0.459276D+00 -0.462935D+01 -0.258875D+00  0.232486D+01
               136           137           138           139           140 
      1  -0.769297D+01 -0.476249D+01 -0.346341D+01 -0.776559D+01  0.856287D+01
      2  -0.195841D+02  0.322140D+01  0.476487D+01  0.417743D+01 -0.327087D+01
      3   0.165579D+00  0.201177D+01  0.288883D+01  0.920489D+01 -0.700721D+01
               141           142           143           144           145 
      1  -0.158405D+02 -0.292012D+01 -0.805386D+01 -0.388024D+01 -0.172801D+01
      2  -0.685003D+00  0.814660D+00 -0.106832D+01  0.605051D+01 -0.111577D+02
      3   0.902943D+01  0.256982D+01  0.606952D+01  0.401756D+01  0.802456D+01
               146           147           148           149           150 
      1  -0.524239D+00 -0.208255D+01  0.190839D+00 -0.222260D+01 -0.219324D+01
      2  -0.198219D+01 -0.104593D+02 -0.279334D+01 -0.107099D+02 -0.661803D+01
      3   0.141943D+02  0.338859D+01  0.285028D+02 -0.182052D+02  0.987553D+01
               151           152           153           154           155 
      1  -0.305974D+01  0.137120D+01  0.342801D+01  0.479061D+01 -0.279096D+01
      2  -0.204018D+02 -0.548510D+01  0.185711D+02  0.242614D+02 -0.341311D+01
      3   0.421060D+01  0.103024D+02  0.818343D+01  0.315250D+01 -0.131755D+01
               156           157           158           159           160 
      1   0.636606D-01 -0.210468D+01  0.432625D+00  0.157046D+00 -0.606669D+00
      2  -0.899155D+00 -0.455568D+01  0.135546D+01 -0.216110D+00 -0.458736D+01
      3  -0.314944D+00  0.182022D+01  0.258990D-01 -0.506396D+00 -0.210717D+00
               161           162           163           164           165 
      1   0.145869D+01  0.683566D+00  0.404556D+01  0.504405D+01  0.322914D+01
      2   0.251484D+00  0.219698D+01 -0.111511D+01 -0.862684D+00  0.289717D+01
      3   0.523846D+00  0.164123D+00 -0.223606D+01 -0.402969D+01 -0.258304D+01
               166           167           168           169           170 
      1   0.408254D+01  0.562060D+01  0.539731D+01  0.327171D+01  0.636534D+01
      2  -0.285439D+01  0.105517D+01  0.318879D+01 -0.299812D+01  0.626368D+00
      3  -0.145530D+01 -0.348995D+01 -0.430813D+01 -0.143728D+01 -0.351411D+01
               171           172           173           174           175 
      1   0.605891D+01 -0.892640D+00  0.290482D+01  0.623082D+00  0.352441D+01
      2   0.344163D+01  0.732357D+00  0.382339D+00  0.105101D+01  0.292435D+01
      3  -0.368416D+01  0.893916D+00 -0.265821D+01  0.533966D+00  0.110881D+01
               176           177           178           179           180 
      1  -0.137486D+02  0.306850D+01 -0.472919D+00  0.488713D+01 -0.182545D+01
      2   0.330494D+01 -0.452843D+01 -0.155414D+01 -0.135164D+01  0.193941D+01
      3   0.103424D+02 -0.578467D+01 -0.685960D+00 -0.281435D+01  0.209217D+01
               181           182           183           184           185 
      1  -0.891889D+00 -0.585089D+00  0.844055D+00 -0.154445D+00 -0.426452D+00
      2  -0.436376D+01  0.146443D+00  0.640471D+01  0.841632D-01 -0.111430D+01
      3  -0.174181D+01 -0.241184D+01  0.816589D+00 -0.235222D+01  0.644104D-01
               186           187           188           189           190 
      1  -0.239951D+00  0.143905D+01  0.332837D+01 -0.368326D+01  0.438598D+00
      2   0.332658D+01  0.631226D+01  0.222505D+01 -0.244921D+02  0.227227D+01
      3   0.179946D+01  0.944611D+00  0.398517D+01 -0.341993D+01  0.474861D+01
               191           192           193           194           195 
      1  -0.290087D+00  0.975826D+00 -0.265236D+00  0.123153D+01 -0.384363D+01
      2  -0.126792D+01  0.310642D+01 -0.175798D+01  0.541053D+01 -0.548054D+01
      3  -0.744026D+01  0.724035D+00 -0.112017D+02  0.268276D+02 -0.471316D+01
               196           197           198           199           200 
      1   0.651886D+00  0.229103D+00  0.725900D+00  0.135647D+01  0.939698D+00
      2   0.299973D+01 -0.292508D+01  0.143269D+01  0.803218D+01  0.338160D+01
      3   0.957539D+00 -0.547628D+01  0.246689D+01 -0.104138D+02 -0.898037D+01
               201           202           203           204           205 
      1   0.137413D+00  0.938348D+00  0.121095D+01 -0.795581D+00  0.130571D+01
      2   0.839101D+01  0.510265D+01  0.542629D+01  0.742035D+01  0.750266D+01
      3  -0.433700D+01 -0.107698D+02 -0.890548D+01 -0.591749D+01 -0.577878D+01
               206           207           208           209           210 
      1   0.178663D+01  0.135316D+00  0.247559D+01 -0.106875D+01  0.241632D+00
      2   0.429762D+01  0.754925D+01 -0.764394D+00  0.573858D+00  0.170312D+01
      3  -0.755592D+01 -0.545117D+01 -0.185834D+01  0.537120D-01 -0.149243D+01
               211           212           213           214           215 
      1   0.896342D+00  0.114177D+02 -0.665411D+01 -0.123626D+01 -0.828975D+01
      2  -0.153104D+01 -0.289010D+01  0.162677D+01  0.912786D+00  0.338543D+01
      3   0.601945D+01 -0.120226D+02  0.137550D+01 -0.496383D+01  0.618862D+01
               216           217           218           219           220 
      1   0.520351D+01 -0.226817D+01 -0.201650D+01 -0.299674D+01 -0.337663D+00
      2  -0.196208D+01 -0.164234D+00  0.111893D+01  0.210528D+01 -0.590091D+00
      3  -0.248292D+01  0.282967D+01 -0.307645D+01 -0.153208D+00  0.231536D+01
               221           222           223           224           225 
      1   0.424651D+00 -0.318996D+01 -0.150559D+01 -0.356792D+01 -0.834629D+01
      2   0.179640D+01  0.195547D+01 -0.363000D+01  0.372226D+01  0.540964D+01
      3  -0.432938D+01 -0.120293D+01  0.391862D+01 -0.194724D+01 -0.237623D+01
               226           227           228           229           230 
      1  -0.149353D+01  0.138033D+01  0.328941D+01  0.115261D+01 -0.148004D+01
      2  -0.835091D+00  0.259413D+01  0.455534D+01  0.272362D+00 -0.302390D+01
      3  -0.305210D+01 -0.147026D+01 -0.241538D+00  0.303958D+01  0.517734D+01
               231           232           233           234 
      1  -0.273459D+01  0.315807D+01  0.236726D+01 -0.211511D+01
      2  -0.324459D+01  0.210509D+01  0.155726D+01 -0.177584D+01
      3   0.111396D+01  0.138546D+01  0.235998D+01 -0.195494D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.140322D+02 -0.564961D+01 -0.934149D+01 -0.823529D+01 -0.236189D+01
      2   0.102314D+02  0.229605D+01  0.154123D+01  0.257010D+01  0.783219D+01
      3   0.380088D+01  0.335356D+01  0.780026D+01  0.566520D+01 -0.547030D+01
      4   0.580796D+00 -0.974328D+00 -0.335976D+01 -0.187467D+01 -0.298541D+01
      5  -0.667156D+00 -0.557279D+01 -0.114598D+02  0.738196D+00  0.579130D+00
      6  -0.303720D+01  0.781862D-01  0.408461D+01  0.312231D+01  0.308556D+01
                 6             7             8             9            10 
      1   0.671952D+01 -0.235223D+02 -0.228588D+01 -0.281249D+01 -0.661134D+01
      2  -0.211874D+01  0.835835D+01  0.335751D+01  0.686481D+01  0.638008D+01
      3  -0.460078D+01  0.151639D+02 -0.107163D+01 -0.405231D+01  0.231251D+00
      4   0.306001D+00 -0.851602D+01  0.721670D+01  0.837583D+01 -0.712427D+00
      5   0.532956D+01 -0.923352D+01  0.722176D+01  0.863634D+01  0.473233D+01
      6  -0.480006D+01  0.830978D+01 -0.370843D+01 -0.759929D+01  0.580062D+01
                11            12            13            14            15 
      1   0.678864D+01 -0.325272D+01  0.932294D+01 -0.119123D+02 -0.612226D+00
      2   0.335355D+00  0.258967D+01 -0.290633D+01  0.126759D+02  0.279318D+01
      3  -0.712400D+01  0.663048D+00 -0.641662D+01 -0.763670D+00 -0.218096D+01
      4  -0.664616D+01  0.109514D+02 -0.137441D+02  0.841722D+01  0.682911D+01
      5   0.906258D+01 -0.934325D+01  0.304486D+01  0.361908D+01 -0.324666D+01
      6   0.949778D+00 -0.586036D+01  0.643226D+01  0.348730D+01 -0.184260D+01
                16            17            18            19            20 
      1  -0.579694D+01  0.135715D+02 -0.638267D+01  0.572547D+00  0.895763D+01
      2   0.277718D+01 -0.705908D+01  0.719293D+01  0.191424D+01 -0.203743D+01
      3   0.301976D+01 -0.651246D+01 -0.810260D+00 -0.248679D+01 -0.692020D+01
      4   0.198135D+02  0.402638D+01 -0.273513D+01  0.418393D+01  0.835100D-01
      5  -0.870941D+01 -0.392120D+01  0.506325D+01 -0.370162D+01 -0.359626D+01
      6  -0.657764D+01 -0.782925D+00  0.443058D+01 -0.674344D+00 -0.545038D+01
                21            22            23            24            25 
      1   0.585117D+01  0.156670D+02  0.230795D+02 -0.495094D+01  0.831367D+01
      2  -0.134834D+01 -0.888941D+01 -0.284295D+02  0.121364D+02 -0.317215D+00
      3  -0.450283D+01 -0.677762D+01  0.534999D+01 -0.718542D+01 -0.799645D+01
      4  -0.595424D+01 -0.162123D+01 -0.194417D+02 -0.601731D+01 -0.637825D+01
      5  -0.846264D+01 -0.606406D+01 -0.571296D+01 -0.104153D+02 -0.102595D+02
      6  -0.711948D+01 -0.420420D+01  0.202315D+01 -0.109848D+02 -0.107223D+02
                26            27            28            29            30 
      1  -0.398301D+01  0.981925D+01  0.197361D+02  0.118920D+02  0.187224D+01
      2   0.231818D+02 -0.140957D+01 -0.147507D+02 -0.628022D+01 -0.245536D+01
      3  -0.191988D+02 -0.840968D+01 -0.498542D+01 -0.561179D+01  0.583116D+00
      4  -0.723407D+01 -0.176656D+02  0.334235D+01  0.220980D+02  0.666424D+01
      5  -0.164773D+02 -0.156008D+02  0.470552D+01  0.490223D+01  0.700161D+01
      6  -0.239104D+02 -0.184121D+02  0.139573D+01 -0.546987D+00 -0.196320D+01
                31            32            33            34            35 
      1   0.142005D+02  0.304272D+02  0.996410D+01  0.929136D+01  0.881005D+01
      2  -0.103803D+02 -0.209063D+02 -0.414369D+01 -0.816479D+01 -0.689026D+01
      3  -0.382017D+01 -0.952088D+01 -0.582041D+01 -0.112657D+01 -0.191978D+01
      4   0.263002D+02  0.572889D+02  0.108547D+01  0.724153D+01  0.475337D+01
      5   0.867502D+01 -0.592790D+00  0.148142D+02  0.176631D+02  0.101982D+02
      6  -0.162653D+01  0.514803D+01  0.350904D+01 -0.204473D+00  0.102083D+02
                36            37            38            39            40 
      1   0.763947D+01 -0.212065D+02  0.215597D+01 -0.380752D+01  0.118967D+02
      2  -0.133130D+02  0.162467D+02 -0.248285D+01  0.488762D+00 -0.807078D+01
      3   0.567355D+01  0.495983D+01  0.326874D+00  0.331876D+01 -0.382590D+01
      4   0.737800D+01  0.381067D+01 -0.236003D+02 -0.206960D+02 -0.389660D+02
      5   0.937058D+01 -0.734606D+01 -0.220408D+02 -0.169913D+02 -0.195893D+02
      6  -0.104395D+01 -0.914178D+01 -0.528387D+01 -0.508317D+01  0.299802D+01
                41            42            43            44            45 
      1  -0.257451D+02 -0.252778D+02 -0.123422D+02 -0.311639D+02 -0.201544D+02
      2   0.121282D+02  0.172224D+02  0.622489D+01  0.227114D+02  0.811834D+01
      3   0.136169D+02  0.805542D+01  0.611732D+01  0.845250D+01  0.120361D+02
      4  -0.287564D+02  0.168588D+02 -0.231955D+02  0.153983D+02 -0.291894D+02
      5   0.212928D+02 -0.204932D+02 -0.376872D+02 -0.342860D+02 -0.112831D+02
      6   0.126300D+02 -0.150388D+02 -0.137664D+02 -0.226928D+02 -0.109208D+01
                46            47            48            49            50 
      1  -0.216252D+02 -0.119883D+02 -0.764393D+00 -0.288310D+02 -0.428029D+02
      2   0.132263D+02  0.133986D+02  0.228940D+01  0.259739D+02  0.389703D+02
      3   0.839893D+01 -0.141022D+01 -0.152500D+01  0.285715D+01  0.383264D+01
      4   0.793179D+01 -0.170320D+02 -0.133794D+02 -0.256065D+02 -0.387399D+02
      5   0.108448D+02 -0.106709D+02 -0.348268D+01 -0.106789D+02  0.780444D+01
      6  -0.759754D+01  0.830861D+01  0.296758D+01  0.905620D+01 -0.127108D+02
                51            52            53            54            55 
      1  -0.472175D+01 -0.362099D+01 -0.890472D+01 -0.159879D+02  0.599588D+01
      2   0.695580D+00  0.358815D+01 -0.444151D+01  0.276580D+01 -0.541286D+01
      3   0.402617D+01  0.328378D-01  0.133462D+02  0.132221D+02 -0.583020D+00
      4   0.102770D+02 -0.202060D+02  0.136054D+02 -0.885932D+01  0.165693D+00
      5  -0.115388D+02 -0.913382D+00 -0.856577D+01 -0.167254D+01 -0.452410D+01
      6   0.303127D+01  0.563090D+01  0.170115D+02  0.911261D+00 -0.241498D+01
                56            57            58            59            60 
      1   0.104188D+02  0.750398D+01  0.124296D+02  0.460650D+02 -0.460639D+01
      2  -0.120246D+02 -0.105556D+02 -0.129251D+02 -0.494403D+02  0.975387D+01
      3   0.160576D+01  0.305164D+01  0.495420D+00  0.337528D+01 -0.514748D+01
      4   0.314134D+00  0.292897D-01  0.822847D+01  0.336824D+01 -0.115490D+02
      5  -0.695316D+00 -0.463781D+01  0.673103D-01 -0.713804D+01  0.308404D+00
      6  -0.111836D+02 -0.341777D+01 -0.626539D+01  0.130996D+02 -0.186446D+02
                61            62            63            64            65 
      1   0.912965D+01 -0.803035D+01  0.252073D+02 -0.100633D+01  0.497699D+01
      2  -0.806109D+01  0.155571D+02 -0.290732D+02 -0.525592D+01 -0.506398D+01
      3  -0.106856D+01 -0.752675D+01  0.386596D+01  0.626226D+01  0.869898D-01
      4  -0.200463D+01 -0.137378D+02 -0.429867D+01  0.461743D+01  0.628844D+01
      5  -0.212919D+01 -0.521847D+01 -0.424176D+01  0.149732D+02 -0.648422D+00
      6  -0.115517D+02 -0.421430D+02 -0.764640D+01 -0.166202D+01  0.546076D+01
                66            67            68            69            70 
      1   0.125751D+02  0.790149D+01  0.155704D+02  0.145940D+01  0.237197D+02
      2  -0.983105D+01 -0.618980D+01 -0.885025D+01 -0.304543D+01 -0.156440D+02
      3  -0.274406D+01 -0.171170D+01 -0.672019D+01  0.158602D+01 -0.807572D+01
      4  -0.315315D+01  0.226084D+02 -0.174752D+02  0.872673D+01 -0.467103D+01
      5   0.158941D+02  0.634470D-01  0.937206D+01  0.272264D+01  0.227010D+02
      6  -0.205378D+00  0.149701D+01 -0.665437D+01  0.437655D+01 -0.284793D+01
                71            72            73            74            75 
      1  -0.156138D+01  0.157208D+02  0.197087D+01  0.524598D+00  0.321409D+01
      2  -0.133678D+01 -0.128175D+02 -0.468452D+01  0.102836D+01  0.384891D+01
      3   0.289816D+01 -0.290331D+01  0.271365D+01 -0.155296D+01 -0.706299D+01
      4   0.770607D+01 -0.713975D+00 -0.727581D+01  0.749720D+01  0.561745D+01
      5   0.111556D+01 -0.220743D+01 -0.875880D+01  0.570315D+01  0.138434D+02
      6   0.536663D+01  0.148915D+01  0.541722D+01 -0.430201D+01 -0.636194D+01
                76            77            78            79            80 
      1   0.134006D+01 -0.955027D+01 -0.927107D+01  0.338595D+01 -0.836842D+01
      2   0.817652D+00  0.378252D+01  0.709466D+00  0.383932D+01 -0.176656D+01
      3  -0.215771D+01  0.576775D+01  0.856160D+01 -0.722527D+01  0.101350D+02
      4   0.404690D+01 -0.477398D+01 -0.607496D+01  0.529290D+01 -0.644107D+01
      5   0.451042D+01 -0.616343D+01 -0.755204D+01  0.978408D+01 -0.815961D+01
      6  -0.349558D+01  0.100397D+02  0.131160D+02 -0.549955D+01  0.130770D+02
                81            82            83            84            85 
      1  -0.194592D+02  0.931315D+01  0.804135D+00 -0.335231D+00 -0.200542D+01
      2  -0.986335D+01 -0.674242D+01  0.446526D+00  0.235738D+01  0.166304D+01
      3   0.293225D+02 -0.257073D+01 -0.125066D+01 -0.202215D+01  0.342381D+00
      4  -0.948651D+01  0.150918D+02  0.140295D+02 -0.104407D+02  0.102919D+02
      5  -0.172129D+02 -0.130843D+02 -0.912325D+01  0.141177D+02 -0.713335D+01
      6   0.191773D+02 -0.880399D+01 -0.796742D+01  0.841333D+01 -0.714405D+01
                86            87            88            89            90 
      1  -0.684155D+01  0.342162D+01 -0.993820D+00  0.286058D+01 -0.585358D+01
      2   0.810917D+01 -0.193962D+01  0.337893D+01 -0.138779D+00 -0.374371D+01
      3  -0.126762D+01 -0.148200D+01 -0.238511D+01 -0.272180D+01  0.959729D+01
      4   0.141151D+02 -0.974322D+01 -0.988835D+01 -0.104151D+02  0.114944D+02
      5  -0.887111D+01  0.686412D+01  0.117508D+02  0.979429D+01 -0.137200D+02
      6  -0.125511D+02  0.115183D+02  0.934609D+01  0.130372D+02 -0.145562D+02
                91            92            93            94            95 
      1   0.364129D+02  0.133387D+02  0.159098D+02  0.154716D+02  0.127008D+02
      2  -0.199116D+02 -0.542846D+01 -0.805690D+01 -0.579443D+01 -0.316748D+01
      3  -0.165012D+02 -0.791023D+01 -0.785286D+01 -0.967715D+01 -0.953336D+01
      4   0.173407D+02  0.138679D+02  0.109491D+02  0.231690D+02  0.221067D+02
      5   0.202463D+02  0.110044D+02  0.180556D+02  0.108935D+02  0.926829D+01
      6   0.661053D+01  0.352092D+01  0.452514D+01  0.463880D+01  0.427344D+01
                96            97            98            99           100 
      1   0.725847D+01  0.364130D+02  0.165391D+02  0.167164D+02  0.510128D+02
      2  -0.224917D+01 -0.209446D+02 -0.844610D+01 -0.126697D+02 -0.295227D+02
      3  -0.500929D+01 -0.154683D+02 -0.809303D+01 -0.404671D+01 -0.214901D+02
      4   0.947587D+01  0.237122D+02  0.180807D+02  0.202086D+02 -0.148583D+02
      5   0.139023D+02  0.325128D+02  0.230398D+02  0.354314D+02 -0.161610D+02
      6   0.833833D+01  0.109085D+02  0.122098D+02  0.113665D+02  0.131760D+01
               101           102           103           104           105 
      1  -0.160295D+02 -0.122190D+02 -0.369077D+02  0.136333D+02  0.974116D+01
      2   0.102225D+02  0.884255D+01  0.211859D+02 -0.712821D+01 -0.752038D+01
      3   0.580708D+01  0.337649D+01  0.157217D+02 -0.650507D+01 -0.222078D+01
      4   0.125903D+02  0.541327D+01  0.187947D+02 -0.168946D+02 -0.746000D+01
      5   0.654245D+01  0.138432D+02  0.134986D+02 -0.795451D+01 -0.980258D+01
      6  -0.351983D+00  0.355953D+00 -0.190225D+01  0.180059D+01  0.292883D+01
               106           107           108           109           110 
      1  -0.184379D+02  0.675002D+01  0.109728D+02  0.480773D+01  0.721659D+01
      2   0.131394D+02 -0.594825D+01 -0.951136D+01 -0.264628D+01 -0.448065D+01
      3   0.529843D+01 -0.801778D+00 -0.146145D+01 -0.216145D+01 -0.273594D+01
      4   0.645894D+01 -0.701140D+01 -0.366710D+01  0.498099D+01  0.465140D+01
      5   0.185045D+02 -0.414063D+01 -0.119273D+02 -0.269172D+01  0.146645D+00
      6  -0.732541D+00  0.393707D+01  0.115454D+01 -0.170674D+01  0.167056D+01
               111           112           113           114           115 
      1  -0.415556D+01  0.137321D+02 -0.137685D+01  0.550883D+01 -0.784626D+01
      2   0.200626D+01 -0.460830D+01  0.122063D+02 -0.560280D+01  0.439230D+01
      3   0.214930D+01 -0.912384D+01 -0.108295D+02  0.939630D-01  0.345395D+01
      4  -0.238574D+00  0.230156D+02  0.418792D+02 -0.197571D+02 -0.903581D+01
      5   0.470082D+01 -0.844713D+01 -0.225177D+02  0.188737D+02  0.176643D+02
      6   0.432914D+00 -0.757344D+01 -0.196650D+02  0.143531D+02  0.847929D+01
               116           117           118           119           120 
      1   0.693959D+01 -0.765856D+00 -0.290082D+01 -0.676050D+01 -0.491925D+01
      2  -0.650367D+01 -0.213329D+01  0.304524D+01  0.872713D+01  0.502673D+01
      3  -0.435914D+00  0.289914D+01 -0.144425D+00 -0.196663D+01 -0.107486D+00
      4  -0.234567D+02  0.204216D+02  0.616899D+01  0.931916D+01  0.526544D+01
      5   0.240447D+02 -0.197079D+02  0.246866D+01  0.367359D+01  0.553560D+01
      6   0.182298D+02 -0.136992D+02  0.742902D+01  0.801188D+01  0.608918D+01
               121           122           123           124           125 
      1  -0.627245D+01 -0.258676D+02 -0.939234D+01 -0.799284D+01 -0.209631D+02
      2   0.793337D+01  0.311794D+02  0.105759D+02  0.661646D+01  0.207201D+02
      3  -0.166091D+01 -0.531181D+01 -0.118361D+01  0.137638D+01  0.243031D+00
      4   0.382806D+01  0.425003D+01  0.383269D+01  0.597229D+01  0.629410D+01
      5   0.172326D+01  0.298537D+01  0.147263D+01  0.540297D+01  0.470978D+01
      6   0.464894D+01  0.154930D+02  0.154310D+02  0.877726D+01  0.300213D+02
               126           127           128           129           130 
      1  -0.207735D+02 -0.940524D+00  0.309433D+01 -0.208050D+01 -0.422345D+01
      2   0.157150D+02  0.441186D+01 -0.613436D+01  0.250988D+01  0.219715D+01
      3   0.505845D+01 -0.347134D+01  0.304003D+01 -0.429381D+00  0.202630D+01
      4   0.504525D+01 -0.365838D+01  0.116012D+02 -0.353742D+01  0.527868D+01
      5   0.326091D+01  0.262646D+01 -0.214804D+01  0.422197D+01 -0.184289D+01
      6   0.247369D+02 -0.425370D+01  0.522096D+01 -0.526201D+00  0.126925D+00
               131           132           133           134           135 
      1  -0.461108D+02  0.148562D+02  0.407848D+00  0.251313D+02 -0.181306D+02
      2   0.637339D+02 -0.192492D+02  0.822746D+00 -0.303291D+02  0.169913D+02
      3  -0.176231D+02  0.439296D+01 -0.123059D+01  0.519775D+01  0.113928D+01
      4  -0.100575D+02  0.448001D+01 -0.338974D+01  0.577345D+01 -0.314685D+01
      5   0.311434D+01 -0.137640D+01  0.325973D+01 -0.150767D+01  0.229692D+01
      6  -0.294624D+02  0.171388D+02  0.262650D+01  0.296548D+02 -0.167354D+02
               136           137           138           139           140 
      1   0.162002D+02 -0.482364D+01 -0.624825D+00 -0.808081D+01  0.748134D+01
      2  -0.793256D+00  0.729533D+01  0.898953D+01  0.122328D+02 -0.249608D+01
      3  -0.154070D+02 -0.247169D+01 -0.836471D+01 -0.415203D+01 -0.498526D+01
      4  -0.911116D+01 -0.368900D+01 -0.218292D+01 -0.105409D+02  0.165694D+02
      5  -0.826197D-01 -0.700337D+01 -0.156998D+02 -0.876182D+01 -0.218586D+02
      6  -0.532362D+01 -0.951940D+01 -0.362313D+01 -0.145834D+02  0.215290D+02
               141           142           143           144           145 
      1  -0.498793D+01 -0.393413D+00 -0.253852D+01 -0.104585D+02  0.451187D+01
      2   0.161102D+02  0.832706D+01  0.120954D+02  0.406054D+01 -0.181338D+01
      3  -0.111223D+02 -0.793365D+01 -0.955685D+01  0.639791D+01 -0.269849D+01
      4  -0.180898D+02 -0.759755D+00 -0.111119D+02 -0.421631D+01 -0.176421D+02
      5  -0.999166D+01 -0.224176D+02 -0.679324D+01 -0.109694D+02 -0.221236D+02
      6  -0.205967D+02 -0.252528D+01 -0.169368D+02 -0.894153D+01  0.644345D+00
               146           147           148           149           150 
      1  -0.186533D+02 -0.189441D+02 -0.249271D+02 -0.242411D+02 -0.868225D+01
      2   0.152713D+02  0.780480D+01  0.230213D+02  0.437266D+00  0.742098D+01
      3   0.338206D+01  0.111393D+02  0.190579D+01  0.238039D+02  0.126127D+01
      4  -0.251861D+02 -0.372919D+01 -0.440539D+02  0.383195D+02 -0.179171D+02
      5  -0.405831D+01 -0.195052D+02 -0.651591D+01 -0.161801D+02 -0.125547D+02
      6  -0.205041D+01  0.627228D+00 -0.288881D+01  0.266558D+01 -0.156563D+01
               151           152           153           154           155 
      1  -0.257230D+02 -0.820838D+01 -0.213321D+02 -0.909653D+01 -0.464481D-01
      2   0.805149D+01  0.683737D+01  0.179922D+02  0.262818D+01 -0.452020D+00
      3   0.176715D+02  0.137101D+01  0.333995D+01  0.646835D+01  0.498468D+00
      4  -0.546864D+01 -0.196558D+02 -0.100315D+02  0.593316D+01 -0.152064D-01
      5  -0.275218D+02 -0.107034D+02  0.322711D+02 -0.148134D+02  0.178452D+01
      6   0.776863D+00  0.144685D+01 -0.395955D+01  0.182224D+01 -0.325794D+01
               156           157           158           159           160 
      1   0.950333D+01  0.182685D+01 -0.230371D+01 -0.134037D+01  0.455858D+01
      2   0.280398D+01 -0.221557D+01  0.117422D+01 -0.231680D+01  0.226076D+01
      3  -0.123073D+02  0.388725D+00  0.112949D+01  0.365717D+01 -0.681934D+01
      4  -0.114744D+01  0.172538D+01 -0.760808D+00  0.148052D+01 -0.106791D+01
      5   0.316485D+01  0.273127D+01  0.940644D+00  0.176499D+01  0.729569D+01
      6   0.196374D+01 -0.113760D+01 -0.104430D+01  0.387171D+01  0.428778D+00
               161           162           163           164           165 
      1  -0.911990D+00 -0.368915D+01  0.742672D+01  0.303493D+01  0.132701D+01
      2  -0.102973D+01 -0.276811D+01 -0.119005D+02 -0.494526D+01 -0.128271D+02
      3   0.194172D+01  0.645726D+01  0.447379D+01  0.191034D+01  0.115001D+02
      4  -0.632377D+00  0.122771D+01  0.627414D+01  0.663549D+01  0.471403D+01
      5   0.371245D+00 -0.398423D+01  0.189306D+02  0.795807D+01  0.224879D+02
      6   0.311197D+01  0.109637D+01  0.596615D+01  0.693169D+01  0.540072D+01
               166           167           168           169           170 
      1   0.417324D+01 -0.242576D+01 -0.408593D+01  0.190895D+00 -0.224596D+01
      2  -0.731340D+01 -0.248796D+01 -0.108995D+02 -0.994788D+01 -0.631512D+01
      3   0.314016D+01  0.491372D+01  0.149854D+02  0.975698D+01  0.856109D+01
      4   0.771583D+01  0.648378D+01  0.935897D+01  0.302421D+01  0.553524D+01
      5   0.128884D+02  0.119052D+02  0.170410D+02  0.171577D+02  0.850475D+01
      6   0.814511D+01  0.826756D+01  0.140746D+02  0.466370D+01  0.957306D+01
               171           172           173           174           175 
      1  -0.810570D+01  0.162823D-01 -0.114118D+01 -0.842675D-01 -0.280194D+00
      2  -0.180786D+02 -0.955442D-01 -0.107906D+01 -0.223536D+01 -0.231843D+01
      3   0.261843D+02  0.792618D-01  0.222024D+01  0.231963D+01  0.259862D+01
      4   0.635147D+01 -0.540673D+01  0.933116D+01 -0.418256D+01  0.114412D+02
      5   0.248851D+02  0.544503D+01 -0.540749D+01  0.851977D+01 -0.730580D+01
      6   0.106607D+02 -0.475852D+01  0.626682D+01 -0.299878D+01  0.895484D+01
               176           177           178           179           180 
      1  -0.163869D+02  0.127014D+02 -0.953254D+00  0.723635D+01 -0.737267D+01
      2   0.176167D+02 -0.467441D+01 -0.174398D+01 -0.129135D+01 -0.117910D+01
      3  -0.122988D+01 -0.802700D+01  0.269724D+01 -0.594500D+01  0.855177D+01
      4  -0.227567D+02  0.123558D+02 -0.170008D+01  0.561262D+01 -0.501531D+01
      5   0.139447D+02 -0.103287D+02  0.622007D+01 -0.486331D+01  0.773149D+01
      6  -0.318940D+02  0.232355D+02 -0.281948D+01  0.144435D+02 -0.112445D+02
               181           182           183           184           185 
      1   0.110469D+02  0.262631D+01 -0.925915D+01  0.606813D+01  0.316993D+01
      2  -0.845207D+01 -0.186974D+01  0.679022D+01 -0.437828D+01 -0.962510D+00
      3  -0.259485D+01 -0.756572D+00  0.246893D+01 -0.168984D+01 -0.220743D+01
      4   0.169243D+01  0.440876D+01  0.360931D+00  0.801502D+01 -0.145611D+01
      5  -0.111154D+02 -0.471687D+00  0.157518D+02 -0.193053D+01 -0.353466D+01
      6   0.580625D+00 -0.272754D+00 -0.108360D+01 -0.125712D+01 -0.682176D+00
               186           187           188           189           190 
      1  -0.300320D+00 -0.190670D+02  0.619514D+00  0.993563D+01  0.168694D+02
      2   0.117859D+01  0.146099D+02  0.879049D+00 -0.189584D+02 -0.420457D+01
      3  -0.878266D+00  0.445710D+01 -0.149856D+01  0.902272D+01 -0.126649D+02
      4  -0.379367D+01  0.183926D+01 -0.644397D+01  0.274398D+01 -0.151128D+02
      5   0.612635D+01  0.266784D+02  0.346828D+01 -0.481350D+02  0.392968D+01
      6   0.398124D+01 -0.207769D+01  0.360659D+01  0.445210D+01 -0.972141D+00
               191           192           193           194           195 
      1  -0.101849D+02  0.386276D+01 -0.212918D+02  0.970844D+01  0.303709D+00
      2   0.122577D+01 -0.135292D+01 -0.282038D-01  0.164429D+02 -0.261377D+01
      3   0.895918D+01 -0.250984D+01  0.213200D+02 -0.261513D+02  0.231006D+01
      4   0.197978D+02 -0.254725D+01  0.393992D+02 -0.570113D+02  0.932391D+01
      5  -0.185989D+01  0.520138D+01 -0.223491D+01  0.784498D+01 -0.900035D+01
      6   0.576928D+00 -0.463932D+00  0.147891D+01 -0.229954D+01  0.635585D+01
               196           197           198           199           200 
      1   0.898334D+01 -0.896473D+00  0.384682D+01  0.512460D+02  0.164701D+02
      2  -0.276357D+01 -0.186313D+01 -0.130304D+01 -0.265589D+02 -0.900787D+01
      3  -0.621978D+01  0.275960D+01 -0.254378D+01 -0.246871D+02 -0.746221D+01
      4  -0.620265D+01  0.112989D+02 -0.676498D+01  0.166642D+02  0.154008D+02
      5   0.101704D+02 -0.670700D+01  0.258634D+01  0.178290D+02  0.701662D+01
      6  -0.332900D+01  0.597998D+01 -0.270649D+01  0.117906D+01  0.455784D+00
               201           202           203           204           205 
      1   0.163421D+02  0.347295D+02  0.157997D+02  0.890157D+01  0.308574D+02
      2  -0.907898D+01 -0.178354D+02 -0.443874D+01 -0.546918D+01 -0.173103D+02
      3  -0.726312D+01 -0.168941D+02 -0.113610D+02 -0.343239D+01 -0.135471D+02
      4   0.690428D+01  0.248011D+02  0.153222D+02  0.109889D+02  0.944333D+01
      5   0.147650D+02  0.115180D+02  0.999296D+01  0.129185D+02  0.221324D+02
      6  -0.174228D+00  0.217962D+01  0.177653D+01  0.273656D+01  0.144779D+01
               206           207           208           209           210 
      1   0.762118D+01  0.145174D+02 -0.116653D+01  0.152358D+01 -0.192606D+01
      2  -0.520392D+01 -0.116623D+02  0.304839D+01 -0.177928D+01  0.611191D+00
      3  -0.241726D+01 -0.285510D+01 -0.188186D+01  0.255700D+00  0.131487D+01
      4   0.124144D+02  0.857973D+01  0.100423D+01  0.792653D+01 -0.572365D+00
      5   0.879416D+01  0.154134D+02 -0.143288D+01  0.328182D+00  0.349606D+01
      6   0.220602D+01  0.231273D+01 -0.202725D+01  0.623325D+00  0.987405D+00
               211           212           213           214           215 
      1  -0.944298D+00 -0.266693D+02  0.431441D+01 -0.205858D+01  0.123655D+02
      2   0.288646D+01  0.434404D+02 -0.906113D+01 -0.108345D+01 -0.216111D+02
      3  -0.194216D+01 -0.167710D+02  0.474672D+01  0.314204D+01  0.924560D+01
      4   0.637287D+01  0.150696D+02 -0.232927D+01 -0.273580D+01 -0.711163D+01
      5   0.213213D+00 -0.200261D+01  0.270368D+01  0.333667D+01  0.472975D+01
      6  -0.614650D+00 -0.847647D+01  0.747125D+01  0.248911D+01  0.137476D+02
               216           217           218           219           220 
      1  -0.636153D+01  0.347878D+01 -0.278239D+01 -0.179446D+01 -0.301096D+01
      2   0.628823D+01 -0.464259D+01 -0.408043D+00 -0.273427D+01  0.196784D+01
      3   0.732999D-01  0.116382D+01  0.319044D+01  0.452873D+01  0.104313D+01
      4   0.544018D+01  0.766013D+01  0.109013D+02  0.975251D+01  0.619963D+01
      5  -0.807173D+00  0.112262D+02  0.888439D+01  0.130012D+02  0.396773D+01
      6  -0.396927D+01  0.753791D+01  0.927920D+01  0.867755D+01  0.567275D+01
               221           222           223           224           225 
      1  -0.115979D+02 -0.704381D+01 -0.247941D+01 -0.113265D+02 -0.182213D+02
      2   0.918281D+01  0.253629D+01 -0.207848D+01 -0.132805D+01 -0.558689D+01
      3   0.241505D+01  0.450753D+01  0.455789D+01  0.126545D+02  0.238081D+02
      4   0.107478D+02  0.813923D+01  0.962946D+01  0.113449D+02  0.154823D+02
      5   0.829388D+01  0.744426D+01  0.124858D+02  0.143670D+02  0.218746D+02
      6   0.126425D+02  0.145233D+02  0.980546D+01  0.224962D+02  0.267321D+02
               226           227           228           229           230 
      1   0.186364D+02 -0.971914D+01 -0.384496D+01 -0.677141D+01 -0.385426D+01
      2  -0.407881D+01  0.204852D+00  0.167139D+01 -0.255165D+01  0.142201D+02
      3  -0.145576D+02  0.951429D+01  0.217357D+01  0.932306D+01 -0.103659D+02
      4  -0.291326D+02  0.240193D+02  0.110251D+02  0.206767D+02 -0.282950D+02
      5  -0.109990D+02  0.881589D+01  0.946506D+01  0.597133D+01 -0.843136D+01
      6   0.667278D+01 -0.716869D+01 -0.564418D+01 -0.580264D+01  0.100048D+02
               231           232           233           234 
      1  -0.156142D+01 -0.432761D+01  0.125958D+01  0.249547D+01
      2   0.313918D+01  0.136849D+01  0.447876D+01 -0.907782D+00
      3  -0.157777D+01  0.295913D+01 -0.573833D+01 -0.158769D+01
      4  -0.103316D+02  0.127926D+02 -0.158087D+02 -0.695845D+01
      5  -0.598577D+01  0.965261D+01 -0.448261D+01 -0.689572D+01
      6   0.696661D+01 -0.650285D+01  0.442805D+01  0.561185D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x         -0.699461D-02     -0.177785D-01     -0.593028D-01
   y         -0.419830D-01     -0.106710D+00     -0.355946D+00
   z         -0.497388D-01     -0.126423D+00     -0.421703D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.126503D+03      0.187458D+02      0.208575D+02
   yx         0.399572D+01      0.592105D+00      0.658806D+00
   yy         0.115585D+03      0.171279D+02      0.190573D+02
   zx         0.411182D+00      0.609309D-01      0.677948D-01
   zy         0.240015D+01      0.355665D+00      0.395731D+00
   zz         0.970185D+02      0.143767D+02      0.159962D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120868D+03      0.179108D+02      0.199285D+02
   aniso      0.294491D+02      0.436390D+01      0.485550D+01
   xx         0.135501D+03      0.200792D+02      0.223412D+02
   yx         0.453315D+01      0.671743D+00      0.747415D+00
   yy         0.123619D+03      0.183184D+02      0.203820D+02
   zx         0.456027D+00      0.675762D-01      0.751886D-01
   zy         0.252619D+01      0.374342D+00      0.416512D+00
   zz         0.103485D+03      0.153348D+02      0.170623D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31315505         -0.31232063          1.90814427
     6          1.73813513         -2.03782781         -0.32973281
     6         -1.29348854          0.74004624          2.43145085
     6         -3.34170886         -0.01149217          0.60709473
     6         -5.89851730          1.08759508          1.15178788
     6         -2.93363759         -1.53756170         -1.34908162
     6         -0.45133936         -2.71447183         -2.04143417
     6          2.90039686          0.56825294         -0.29316582
     1          2.37312040         -0.76524544          3.60092051
     1          3.06458635         -3.57030424         -0.03720554
     1         -6.55362383          0.54572222          3.03762671
     1         -7.30253621          0.46650271         -0.22153506
     1         -5.83422198          3.15535156          1.12166285
     1         -0.00080883         -2.23689974         -4.00927637
     1         -0.68378311         -4.77166244         -2.03207899
     6          1.92455636          2.60281079         -2.04516912
     6          5.72415786          0.70729211          0.13526372
     1         -0.10622065          2.48853279         -2.34551613
     1          2.84513744          2.46711847         -3.89005981
     1          2.34989851          4.47554951         -1.28240874
     1          6.36686272         -0.78445880          1.40640859
     1          6.25779087          2.52185645          0.96909756
     1          6.75387928          0.50729030         -1.64580135
     1         -1.22816627          2.81190359          2.53479266
     1         -1.88224873          0.13433318          4.32236119
     1         -4.50992229         -1.99951334         -2.57993565

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654633D-01      0.166391D+00      0.555021D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.125773D+03      0.186377D+02      0.207372D+02
   yx        -0.956602D+00     -0.141754D+00     -0.157722D+00
   yy         0.105388D+03      0.156169D+02      0.173762D+02
   zx        -0.526577D+01     -0.780307D+00     -0.868208D+00
   zy         0.959865D+01      0.142237D+01      0.158260D+01
   zz         0.107945D+03      0.159957D+02      0.177977D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120868D+03      0.179108D+02      0.199285D+02
   aniso      0.294491D+02      0.436390D+01      0.485550D+01
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 UNDER MOST GREENE GRASSE LY MOST GREATE SNAKES.
 -- PROVERBS AND REASONS OF THE YEAR 1585
           AS REPRINTED IN PAISLEY MAGAZINE 1828.
 Job cpu time:       0 days  4 hours 41 minutes 12.9 seconds.
 Elapsed time:       0 days  0 hours 23 minutes 30.1 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 21:35:58 2021.
